2,3-二羥基苯甲醛(24677-78-9)核磁圖(1HNMR)
InChI:InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
InChIKey: IXWOUPGDGMCKGT-UHFFFAOYSA-N
Smiles:C(=O)C1=CC=CC(O)=C1O
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Mass
MS-NW-2388
2,3-dihydroxybenzaldehyde
C7H6O3 (Mass of molecular ion: 138)
Source Temperature: 270 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 1.0
26.0 1.9
27.0 7.9
28.0 2.5
29.0 5.2
37.0 2.1
38.0 3.7
39.0 6.1
46.0 1.3
49.0 1.5
50.0 4.7
51.0 5.9
52.0 4.6
53.0 8.0
54.0 1.9
55.0 9.5
61.0 1.3
62.0 2.7
63.0 12.0
64.0 12.8
65.0 1.7
69.0 1.7
79.0 1.7
80.0 1.5
81.0 19.3
82.0 2.5
91.0 2.3
92.0 23.5
93.0 1.9
107.0 2.6
108.0 2.5
109.0 10.4
110.0 4.5
119.0 1.2
120.0 14.7
121.0 1.3
136.0 2.9
137.0 69.5
138.0 100.0
139.0 7.8
151.0 1.1
152.0 2.7
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H6 O3
|
0.049 g : 0.5 ml CDCl3
|
| 2,3-dihydroxybenzaldehyde
|
 |
Assign. Shift(ppm)
A *1 11.09
B 9.877
C 7.18
D 7.13
E 6.951
F *1 5.89
|
Hz ppm Int.
993.09 11.089 267
992.46 11.082 282
884.63 9.878 1000
649.52 7.253 61
648.89 7.246 65
647.46 7.230 74
646.91 7.224 75
644.76 7.200 104
642.70 7.177 177
641.75 7.166 79
640.16 7.148 184
639.69 7.143 192
636.75 7.110 418
634.69 7.087 140
627.47 7.007 378
624.61 6.975 22
620.25 6.926 188
619.45 6.917 145
612.23 6.836 99
526.86 5.883 90
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| 1H NMR |
399.65 MHz |
| C7 H6 O3
|
0.049 g : 0.5 ml CDCl3
|
| 2,3-dihydroxybenzaldehyde
|
|
Assign. Shift(ppm)
A 11.10
B 9.886
C 7.193
D 7.145
E 6.947
F 5.84
J(C,E)=7.7HZ. J(C,D)=1.5HZ. J(D,E)=7.7HZ. J(A,C)=0.6HZ.
|
Hz ppm Int.
4434.66 11.097 560
3950.96 9.887 1000
2880.10 7.207 164
2879.33 7.205 174
2878.57 7.203 183
2877.96 7.202 156
2875.67 7.196 27
2872.16 7.187 192
2871.55 7.186 210
2870.79 7.184 219
2870.03 7.182 192
2860.57 7.158 259
2859.04 7.154 225
2852.78 7.139 327
2851.26 7.135 262
2786.10 6.972 24
2783.51 6.965 279
2775.57 6.946 465
2767.79 6.926 206
2335.51 5.844 164