20
N O H O (4a) MF :C 23 H 27 NO 2

O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

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Page 1: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

(4a)MF :C23H27NO2

Page 2: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

Cl

(4b)MF : C23H26ClNO2

Page 3: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

OCH3

(4c)MF : C24H29NO3

Exact Mass: 379.21

Page 4: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

NO2

(4d)MF : C23H26N2O4

Exact Mass: 394.19

Page 5: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

N NCH3

(4g)MF : C33H35N3O2

Exact Mass: 505.27

Page 6: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

N NF

(4h)MF : C32H32FN3O2

Page 7: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

N NCl

(4i)MF : C32H32ClN3O2Exact Mass: 525.22

Page 8: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

N NS

(4j)MF : C30H31N3O2SExact Mass: 497.21

Page 9: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

13 12 11 10 9 8 7 6 5 4 3 2 1 0 ppm

0.8830

0.9199

1.0314

1.0596

1.2402

1.9764

2.0167

2.0966

2.1390

2.1794

2.3096

2.3523

2.4095

2.4521

2.5112

2.5156

2.5201

2.5246

2.5290

3.3789

4.8214

7.0000

7.0175

7.0314

7.0351

7.0384

7.1128

7.1323

7.1505

7.1644

7.1670

7.1840

7.1880

8.2345

9.2380

6.38

6.27

2.22

2.09

2.20

2.09

1.01

1.22

4.22

1.00

Current Data Parameters

NAME Dec26-2016

EXPNO 160

PROCNO 1

F2 - Acquisition Parameters

Date_ 20161226

Time 18.58

INSTRUM spect

PROBHD 5 mm PABBO BB-

PULPROG zg30

TD 65536

SOLVENT DMSO

NS 8

DS 2

SWH 12019.230 Hz

FIDRES 0.183399 Hz

AQ 2.7263477 sec

RG 203

DW 41.600 usec

DE 6.00 usec

TE 295.0 K

D1 1.00000000 sec

TD0 1

======== CHANNEL f1 ========

NUC1 1H

P1 10.90 usec

PL1 -3.00 dB

SFO1 400.1324710 MHz

F2 - Processing parameters

SI 32768

SF 400.1299950 MHz

WDW EM

SSB 0

LB 0.30 Hz

GB 0

PC 1.00

AC-2BRUKER

AVANCE II 400 NMR

Spectrometer

SAIFPanjab University

Chandigarh

[email protected]

N

O

H

O

(4a)MF :C23H27NO2

Page 10: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

Cl

(4b)MF : C23H26ClNO2

Page 11: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

OCH3

(4c)MF : C24H29NO3

Exact Mass: 379.21

Page 12: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

NO2

(4d)MF : C23H26N2O4

Exact Mass: 394.19

Page 13: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

11 10 9 8 7 6 5 4 3 2 1 0 ppm

0.8724

0.9419

1.0249

1.2076

2.0001

2.0407

2.0918

2.1320

2.2927

2.3368

2.3464

2.3902

2.5320

3.3981

4.9763

7.1517

7.1727

7.1942

7.2241

7.2417

7.4004

7.4189

7.4369

7.6793

7.6983

7.8993

8.1373

9.1931

6.20

6.26

4.51

4.17

1.00

3.06

2.09

2.07

1.19

2.29

1.00

Current Data Parameters

NAME Dec26-2016

EXPNO 170

PROCNO 1

F2 - Acquisition Parameters

Date_ 20161226

Time 19.32

INSTRUM spect

PROBHD 5 mm PABBO BB-

PULPROG zg30

TD 65536

SOLVENT DMSO

NS 8

DS 2

SWH 12019.230 Hz

FIDRES 0.183399 Hz

AQ 2.7263477 sec

RG 362

DW 41.600 usec

DE 6.00 usec

TE 294.9 K

D1 1.00000000 sec

TD0 1

======== CHANNEL f1 ========

NUC1 1H

P1 10.90 usec

PL1 -3.00 dB

SFO1 400.1324710 MHz

F2 - Processing parameters

SI 32768

SF 400.1299904 MHz

WDW EM

SSB 0

LB 0.30 Hz

GB 0

PC 1.00

AC-3BRUKER

AVANCE II 400 NMR

Spectrometer

SAIFPanjab University

Chandigarh

[email protected]

N

O

H

O

N NF

(4h)MF : C32H32FN3O2

Page 14: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

N NCl

(4i)MF : C32H32ClN3O2Exact Mass: 525.22

Page 15: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

N NS

(4j)MF : C30H31N3O2SExact Mass: 497.21

Page 16: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm

26.51

29.10

32.06

32.87

38.89

39.10

39.31

39.52

39.72

39.93

40.14

50.28

78.48

78.81

79.14

111.54

125.29

127.37

127.62

147.07

149.12

194.24

Current Data Parameters

NAME Dec26-2016

EXPNO 161

PROCNO 1

F2 - Acquisition Parameters

Date_ 20161226

Time 19.27

INSTRUM spect

PROBHD 5 mm PABBO BB-

PULPROG zgpg30

TD 65536

SOLVENT DMSO

NS 512

DS 4

SWH 29761.904 Hz

FIDRES 0.454131 Hz

AQ 1.1010548 sec

RG 32

DW 16.800 usec

DE 6.00 usec

TE 295.3 K

D1 2.00000000 sec

d11 0.03000000 sec

DELTA 1.89999998 sec

TD0 1

======== CHANNEL f1 ========

NUC1 13C

P1 9.60 usec

PL1 -2.00 dB

SFO1 100.6228298 MHz

======== CHANNEL f2 ========

CPDPRG2 waltz16

NUC2 1H

PCPD2 80.00 usec

PL2 -3.00 dB

PL12 14.31 dB

PL13 18.00 dB

SFO2 400.1316005 MHz

F2 - Processing parameters

SI 32768

SF 100.6128193 MHz

WDW EM

SSB 0

LB 1.00 Hz

GB 0

PC 1.40

AC-2 BRUKER

AVANCE II 400 NMR

Spectrometer

SAIF

Panjab University

Chandigarh

[email protected]

AC-2 BRUKER

AVANCE II 400 NMR

Spectrometer

SAIF

Panjab University

Chandigarh

[email protected]

Current Data Parameters

NAME Dec26-2016

EXPNO 161

PROCNO 1

F2 - Acquisition Parameters

Date_ 20161226

Time 19.27

INSTRUM spect

PROBHD 5 mm PABBO BB-

PULPROG zgpg30

TD 65536

SOLVENT DMSO

NS 512

DS 4

SWH 29761.904 Hz

FIDRES 0.454131 Hz

AQ 1.1010548 sec

RG 32

DW 16.800 usec

DE 6.00 usec

TE 295.3 K

D1 2.00000000 sec

d11 0.03000000 sec

DELTA 1.89999998 sec

TD0 1

======== CHANNEL f1 ========

NUC1 13C

P1 9.60 usec

PL1 -2.00 dB

SFO1 100.6228298 MHz

======== CHANNEL f2 ========

CPDPRG2 waltz16

NUC2 1H

PCPD2 80.00 usec

PL2 -3.00 dB

PL12 14.31 dB

PL13 18.00 dB

SFO2 400.1316005 MHz

F2 - Processing parameters

SI 32768

SF 100.6128193 MHz

WDW EM

SSB 0

LB 1.00 Hz

GB 0

PC 1.40

AC-2 BRUKER

AVANCE II 400 NMR

Spectrometer

SAIF

Panjab University

Chandigarh

[email protected]

AC-2 BRUKER

AVANCE II 400 NMR

Spectrometer

SAIF

Panjab University

Chandigarh

[email protected]

N

O

H

O

(4a)MF :C23H27NO2

Page 17: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0 ppm

23.82

27.14

28.60

32.04

38.93

39.14

39.35

39.55

39.76

39.97

40.18

50.32

78.30

78.63

78.83

78.96

112.18

114.11

114.32

117.75

125.53

126.72

129.12

129.20

130.41

130.48

131.00

139.43

148.37

149.75

160.46

162.88

194.43

Current Data Parameters

NAME Dec26-2016

EXPNO 171

PROCNO 1

F2 - Acquisition Parameters

Date_ 20161226

Time 20.01

INSTRUM spect

PROBHD 5 mm PABBO BB-

PULPROG zgpg30

TD 65536

SOLVENT DMSO

NS 512

DS 4

SWH 29761.904 Hz

FIDRES 0.454131 Hz

AQ 1.1010548 sec

RG 645

DW 16.800 usec

DE 6.00 usec

TE 295.0 K

D1 2.00000000 sec

d11 0.03000000 sec

DELTA 1.89999998 sec

TD0 1

======== CHANNEL f1 ========

NUC1 13C

P1 9.60 usec

PL1 -2.00 dB

SFO1 100.6228298 MHz

======== CHANNEL f2 ========

CPDPRG2 waltz16

NUC2 1H

PCPD2 80.00 usec

PL2 -3.00 dB

PL12 14.31 dB

PL13 18.00 dB

SFO2 400.1316005 MHz

F2 - Processing parameters

SI 32768

SF 100.6128193 MHz

WDW EM

SSB 0

LB 1.00 Hz

GB 0

PC 1.40

AC-3 BRUKER

AVANCE II 400 NMR

Spectrometer

SAIF

Panjab University

Chandigarh

[email protected]

AC-3 BRUKER

AVANCE II 400 NMR

Spectrometer

SAIF

Panjab University

Chandigarh

[email protected]

Current Data Parameters

NAME Dec26-2016

EXPNO 171

PROCNO 1

F2 - Acquisition Parameters

Date_ 20161226

Time 20.01

INSTRUM spect

PROBHD 5 mm PABBO BB-

PULPROG zgpg30

TD 65536

SOLVENT DMSO

NS 512

DS 4

SWH 29761.904 Hz

FIDRES 0.454131 Hz

AQ 1.1010548 sec

RG 645

DW 16.800 usec

DE 6.00 usec

TE 295.0 K

D1 2.00000000 sec

d11 0.03000000 sec

DELTA 1.89999998 sec

TD0 1

======== CHANNEL f1 ========

NUC1 13C

P1 9.60 usec

PL1 -2.00 dB

SFO1 100.6228298 MHz

======== CHANNEL f2 ========

CPDPRG2 waltz16

NUC2 1H

PCPD2 80.00 usec

PL2 -3.00 dB

PL12 14.31 dB

PL13 18.00 dB

SFO2 400.1316005 MHz

F2 - Processing parameters

SI 32768

SF 100.6128193 MHz

WDW EM

SSB 0

LB 1.00 Hz

GB 0

PC 1.40

AC-3 BRUKER

AVANCE II 400 NMR

Spectrometer

SAIF

Panjab University

Chandigarh

[email protected]

AC-3 BRUKER

AVANCE II 400 NMR

Spectrometer

SAIF

Panjab University

Chandigarh

[email protected]

N

O

H

O

N NF

(4h)MF : C32H32FN3O2

Page 18: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

N

O

H

O

N NS

(4j)MF : C30H31N3O2SExact Mass: 497.21

Page 19: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

WATERS, Q-TOF MICROMASS (ESI-MS) SAIF/CIL,PANJAB UNIVERSITY,CHANDIGARH

m/z60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500

%

0

100

GADHAVE AC-2 12 (0.271) Cm (2:15-23:36) TOF MS ES+ 3.30e4372.38

33011

350.4422336

235.961911

351.464654

373.418160

388.371898

N

O

H

O

(4a)MF :C23H27NO2

Exact Mass: 349.2

(M+Na)

Page 20: O N H (4 a ) M F :C 2 3 H 2 7 2 - NISCAIRnopr.niscair.res.in/bitstream/123456789/45408/2/IJCB 57B... · 2018-11-14 · waters, q-tof micromass (esi-ms) saif/cil,panjab university,chandigarh

WATERS, Q-TOF MICROMASS (ESI-MS) SAIF/CIL,PANJAB UNIVERSITY,CHANDIGARH

m/z60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580

%

0

100

GADHAVE AC-3 13 (0.293) Cm (2:20-22:42) TOF MS ES+ 1.83e4532.24

18266

510.3010846

315.923000

272.492159

102.401555

111.41791

295.43641

509.342310

316.421255

511.303707

533.258018

534.261034

N

O

H

O

N NF

(4h)MF : C32H32FN3O2

Exact Mass: 509.25

(M+Na)