間羥基苯甲酸(99-06-9)紅外圖譜(IR2)
InChI:InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKey: IJFXRHURBJZNAO-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=CC(O)=C1
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Mass
MS-NW-9310
m-hydroxybenzoic acid
C7H6O3 (Mass of molecular ion: 138)
Source Temperature: 160 °C
Sample Temperature: 100 °C
Direct, 75 eV
17.0 1.2
18.0 6.6
27.0 1.6
28.0 1.0
37.0 1.4
38.0 3.2
39.0 13.5
40.0 1.4
45.0 1.1
46.0 1.6
50.0 1.7
51.0 1.2
53.0 3.7
55.0 3.7
60.5 1.1
61.0 1.2
62.0 2.4
63.0 5.7
64.0 3.8
65.0 20.0
66.0 2.8
81.0 2.2
92.0 3.7
93.0 36.3
94.0 2.7
110.0 2.0
120.0 2.3
121.0 86.5
122.0 6.7
138.0 100.0
139.0 8.2
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C7 H6 O3
|
0.043 g : 0.5 ml DMSO-d6
|
| m-hydroxybenzoic acid
|
 |
Assign. Shift(ppm)
A *1 12.5
B *1 10.0
C 7.41
D 7.40
E 7.35
F 7.035
|
Hz ppm Int.
671.55 7.499 39
670.01 7.482 80
669.67 7.478 84
668.13 7.461 107
666.76 7.445 26
663.09 7.404 1000
661.04 7.381 823
654.11 7.304 335
653.09 7.293 196
647.11 7.226 118
646.08 7.214 123
634.72 7.088 211
632.84 7.067 276
632.24 7.060 208
630.19 7.037 180
627.28 7.005 123
625.40 6.984 146
622.92 6.956 94
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| 1H NMR |
399.65 MHz |
| C7 H6 O3
|
0.038 g : 0.5 ml DMSO-d6
|
| m-hydroxybenzoic acid
|
|
Assign. Shift(ppm)
A 12.9
B 9.8
C 7.420
D 7.390
E 7.314
F 7.032
|
Hz ppm Int.
5144.59 12.873 42
3911.52 9.788 45
2971.33 7.435 333
2970.23 7.433 553
2969.13 7.430 426
2963.82 7.417 465
2962.72 7.414 785
2961.44 7.411 577
2955.57 7.396 780
2953.19 7.390 846
2951.54 7.386 604
2946.42 7.373 32
2945.50 7.371 31
2945.13 7.370 31
2944.40 7.368 30
2934.88 7.344 37
2930.48 7.333 616
2926.82 7.324 67
2922.79 7.314 1000
2918.21 7.302 57
2917.84 7.301 58
2914.91 7.294 536
2816.00 7.047 430
2815.09 7.044 499
2813.44 7.040 441
2812.52 7.038 451
2807.94 7.026 391
2807.03 7.024 418
2805.56 7.021 399
2804.46 7.018 376