Hợp Chất Sd9: 4-Hydroxybenzaldehyd

3 984 3 967 3 382 3 370 3 358 3 224 3 212 3 200 3 123 SD10 CDCl3 1H 3 14 3 07 2 13 2 13 3 09 4 1 4 1

3.984

3.967

3.382

3.370

3.358

3.224

3.212

3.200

3.123

SD10-CDCl3-1H


3 14 3 07 2 13 2 13 3 09 4 1 4 0 3 9 3 8 3 7 3 6 3 5 3 4 3 3 3 2 3 1 3 0 ppm 3 PHỔ 13 C NMR 150 2


3.14

3.07

2.13

2.13

3.09

4.1 4.0

3.9

3.8

3.7

3.6

3.5

3.4

3.3

3.2

3.1

3.0

ppm


3. PHỔ 13C-NMR


150.24

145.23

141.68

129.40

127.42

123.38

118.79

118.27

117.50

108.83

106.83

100.87

77.28

77.03

76.77

60.56

56.24

50.58

40.61

30.65

-0.00

SD10-CDCl3-C13CPD



Current Data Parameters NAME 11THAO_SD10

EXPNO 2 PROCNO 1 F2 Acquisition Parameters Date 20200223 Time 12 56 INSTRUM spect PROBHD 5 mm PABBO 13

EXPNO 2

PROCNO 1

F2 - Acquisition Parameters Date_ 20200223

Time 12.56

INSTRUM spect PROBHD 5 mm PABBO BB/

PULPROG zgpg30

TD 65536

SOLVENT CDCl3

NS 256

DS 4

SWH 31250.000 Hz

FIDRES 0.476837 Hz

AQ 1.0485760 sec

RG 198.57

DW 16.000 usec

DE 6.50 usec

TE 303.0 K

D1 2.00000000 sec

D11 0.03000000 sec

TD0 1

======== CHANNEL f1 ======== SFO1 125.7864591 MHz NUC1 13C

P1 10.00 usec

PLW1 88.00000000 W

======== CHANNEL f2 ======== SFO2 500.1910008 MHz NUC2 1H

CPDPRG[2 waltz16

PCPD2 80.00 usec

PLW2 22.00000000 W

PLW12 0.35764000 W

PLW13 0.17989001 W

SI SF WDW

SSB


0

32768

125.7726232 MHz

EM

LB


1.00 Hz

GB

0


PC


1.40

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F2 - Processing parameters


220 200 180 160 140 120 100 80 60 40 20 0 ppm



150 150 24 145 145 23 SD10 CDCl3 C13CPD 140 135 141 68 130 129 40 125 127 42 123 38 120 118 79 118 14

150

150.24


145

145.23


SD10-CDCl3-C13CPD

140

135

141.68


130

129.40


125

127.42


123.38


120

118.79

118.27

115

117.50


110

108.83


105

106.83


ppm

ppm

100.87


150.24


150 145 23 140 141 68 130 129 40 127 42 120 123 38 SD10 CDCl3 C13CPD 118 79 118 27 117 50 110 108 27

150

145.23

140

141.68


130

129.40

127.42


120

123.38

SD10-CDCl3-C13CPD

118.79

118.27

117.50


110

108.83

106.83


100

90

PL-66

100.87


80

77.28

77.03

70

76.77


60

60.56


56.24


50

50.58


40

40.61


30

30.65


4 PHỔ HMBC PL 67 SD10 CDCl3 HMBC ppm 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 SD10 29

4. PHỔ HMBC

PL-67

SD10-CDCl3-HMBC


ppm 20

30


40


50


60


70


80


90


100


110


120


130


140


150


160


170

SD10-CDCl3-HMBC


ppm 100 105 110 115 120 125 130 135 140 145 150 PL 68 SD10 CDCl3 HMBC ppm 95 100 105 110 115 120 30

ppm


100


105


110


115


120


125


130


135


140


145


150

PL 68 SD10 CDCl3 HMBC ppm 95 100 105 110 115 120 125 130 135 140 145 150 155 SD10 CDCl3 HMBC ppm 25 31

PL 68 SD10 CDCl3 HMBC ppm 95 100 105 110 115 120 125 130 135 140 145 150 155 SD10 CDCl3 HMBC ppm 25 32


PL-68

SD10-CDCl3-HMBC


ppm


95


100


105


110


115


120


125


130


135


140


145


150


155

SD10-CDCl3-HMBC


ppm


25


30


35


40


45


50


55


60


65


5 PHỔ HSQC PL 69 SD10 CDCl3 HSQC ppm 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 105 110 115 33

5. PHỔ HSQC

PL-69

SD10-CDCl3-HSQC


ppm


25


30


35


40


45


50


55


60


65


70


75


80


85


90


95


100


105


110


115


120


125


130


135

SD10-CDCl3-HSQC


ppm 96 98 100 102 104 106 108 110 112 114 116 118 120 122 124 126 SD10 CDCl3 HSQC ppm 30 35 40 45 34

ppm 96


98


100


102


104


106


108


110


112


114


116


118


120


122


124


126


SD10 CDCl3 HSQC ppm 30 35 40 45 50 55 60 PL 70 4 2 4 0 3 8 3 6 3 4 3 2 3 0 ppm Phụ lục 3 9 35

SD10-CDCl3-HSQC


ppm


30


35


40


45


50


55


60


PL-70

4.2 4.0

3.8

3.6

3.4

3.2

3.0

ppm


Phụ lục 3.9. Hợp chất SD9: 4-hydroxybenzaldehyd

CTPT: C7H6O2 M = 122

Chất rắn màu trắng


MS

1H-NMR (500 MHz, CD3OD)

13C-NMR (125 MHz, CD3OD)

HMBC HSQC


1. PHỔ MS


Display Report - Selected Window Selected Analysis


Analysis Name:


SD04.d Instrument: LC-MSD-Trap-SL


Print Date: 5/20/2020 12:07:58 PM

Method: Sample Name:

Quang_2020.m SD04

Operator:

2195410AE0000514

Acq. Date: 5/20/2020 12:06:04 PM

Analysis Info: Column Eclipse XDB-C18, 4.6 x150mm

MSD Trap Report v 4 A4 Opt2 Page 1 of 1 2 PHỔ 1 H NMR 9 771 7 795 7 791 7 781 7 777 6 931 6 914 4 36


MSD Trap Report v 4 (A4-Opt2)

Page 1 of 1

2. PHỔ 1H-NMR


9.771

7.795

7.791

7.781

7.777

6.931

6.914

4.845

SD04-MeOD-1H



3 336 3 333 3 330 3 327 3 323 Current Data Parameters NAME 11THAO SD04 EXPNO 10 PROCNO 1 F2 42


3.336

3.333

3.330

3.327

3.323

Current Data Parameters NAME 11THAO_SD04

EXPNO 10

PROCNO 1

F2 - Acquisition Parameters Date_ 20200114

Time 15.25

INSTRUM spect PROBHD 5 mm PABBO BB/ PULPROG zg30

TD 65536 SOLVENT MeOD NS 16 DS 2 SWH 10000 000 Hz FIDRES 0 152588 Hz AQ 3 2767999 sec RG 157 35 DW 43

TD 65536

SOLVENT MeOD

NS 16

DS 2

SWH 10000.000 Hz

FIDRES 0.152588 Hz

AQ 3.2767999 sec

RG 157.35

DW 50.000 usec

DE 6.50 usec

TE 303.0 K

D1 1.00000000 sec

TD0 1

======== CHANNEL f1 ======== SFO1 500.1920889 MHz NUC1 1H

P1 10.20 usec

PLW1 22.00000000 W

SI SF WDW

SSB


0

65536

500.1889998 MHz

EM

LB


0.30 Hz

GB

0


PC


1.00

F2 - Processing parameters


1.00

2.03

2.08

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


7.795

7.791

7.781

7.777

6.931

6.914

SD04-MeOD-1H


-1 ppm


Current Data Parameters NAME 11THAO SD04 EXPNO 10 PROCNO 1 F2 Acquisition Parameters Date 20200114 51


Current Data Parameters NAME 11THAO_SD04

EXPNO 10

PROCNO 1

F2 - Acquisition Parameters Date_ 20200114

Time 15.25

INSTRUM spect PROBHD 5 mm PABBO BB/ PULPROG zg30

TD 65536

SOLVENT MeOD

NS 16

DS 2

SWH 10000.000 Hz

FIDRES 0.152588 Hz

AQ 3.2767999 sec

RG 157.35

DW 50.000 usec

DE 6.50 usec

TE 303.0 K

D1 1.00000000 sec

TD0 1 CHANNEL f1 SFO1 500 1920889 MHz NUC1 1H P1 10 20 usec PLW1 22 00000000 W SI SF WDW SSB 0 52

TD0 1

======== CHANNEL f1 ======== SFO1 500.1920889 MHz NUC1 1H

P1 10.20 usec

PLW1 22.00000000 W

SI SF WDW

SSB


0

65536

500.1889998 MHz

EM

LB


0.30 Hz

GB

0


PC


1.00

F2 - Processing parameters


2.03

2.08

8.2 8.1

8.0

7.9

7.8

7.7

7.6

7.5

7.4

7.3

7.2

7.1

7.0

6.9

6.8

6.7

ppm

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