間羥基苯甲醛(100-83-4)質譜(MS)
InChI:InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChIKey: IAVREABSGIHHMO-UHFFFAOYSA-N
Smiles:C(=O)C1=CC=CC(O)=C1
-
Mass
MS-NW-4790
m-hydroxybenzaldehyde
C7H6O2 (Mass of molecular ion: 122)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 1.2
27.0 2.4
28.0 2.7
29.0 4.3
37.0 3.4
38.0 6.9
39.0 31.6
40.0 6.2
50.0 4.7
51.0 4.2
53.0 5.2
55.0 3.5
61.0 2.4
62.0 4.0
63.0 9.1
64.0 4.9
65.0 44.2
66.0 10.0
74.0 2.0
75.0 1.5
76.0 1.3
92.0 2.1
93.0 49.6
94.0 9.5
121.0 87.6
122.0 100.0
123.0 8.3
400 MHz in DMSO-d6
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H6 O2
|
0.034 g : 0.5 ml DMSO-d6
|
| m-hydroxybenzaldehyde
|
 |
Assign. Shift(ppm)
A 10.0
B 9.938
C 7.434
D 7.382
E 7.279
F 7.131
|
Hz ppm Int.
3999.94 10.009 70
3971.86 9.939 1000
2979.74 7.456 155
2972.26 7.438 371
2964.32 7.418 325
2954.56 7.393 225
2953.19 7.390 398
2951.81 7.386 285
2947.08 7.375 134
2945.56 7.371 213
2944.34 7.368 140
2911.38 7.285 267
2909.85 7.281 284
2908.78 7.279 308
2907.71 7.276 268
2907.26 7.275 267
2855.53 7.146 203
2854.31 7.143 221
2852.94 7.139 204
2851.72 7.136 201
2847.75 7.126 188
2846.37 7.123 192
2845.15 7.120 184
2843.78 7.116 176
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| 1H NMR |
89.56 MHz |
| C7 H6 O2
|
0.043 g : 0.5 ml CDCl3
|
| m-hydroxybenzaldehyde
|
|
Assign. Shift(ppm)
A 9.930
B 7.62 to 7.30
C 7.20
D 6.72
|
Hz ppm Int.
889.31 9.930 1000
668.31 7.463 253
667.38 7.452 497
666.50 7.442 257
665.81 7.435 224
663.81 7.412 529
663.25 7.406 635
662.38 7.396 491
650.13 7.260 112
648.00 7.236 206
645.88 7.212 111
644.38 7.195 148
641.38 7.162 115
639.19 7.138 94
602.19 6.724 230