苯磺酰胺(98-10-2)Raman光譜
InChI:InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey: KHBQMWCZKVMBLN-UHFFFAOYSA-N
Smiles:C1(S(N)(=O)=O)=CC=CC=C1
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Mass
MS-NW-0184
benzenesulfonamide
C6H7NO2S (Mass of molecular ion: 157)
Source Temperature: 170 °C
Sample Temperature: 0 °C
Direct, 75 eV
16.0 1.7
27.0 3.0
32.0 1.3
37.0 1.2
38.0 2.6
39.0 7.6
45.0 1.0
46.0 1.5
48.0 1.9
49.0 1.4
50.0 19.9
51.0 48.2
52.0 2.8
62.0 1.1
63.0 2.0
64.0 4.4
65.0 6.3
66.0 6.0
69.0 1.5
73.0 1.3
74.0 7.3
75.0 4.5
76.0 4.9
77.0 100.0
78.0 7.4
80.0 2.9
92.0 1.9
93.0 46.3
94.0 16.1
95.0 1.3
97.0 1.9
125.0 2.8
141.0 20.6
142.0 1.5
143.0 1.0
157.0 31.1
158.0 2.8
159.0 1.6
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C6 H7 N O2 S
|
0.046 g : 0.5 ml DMSO-d6
|
| benzenesulfonamide
|
 |
Assign. Shift(ppm)
A 7.84
B 7.70 to 7.47
C 7.33
|
Hz ppm Int.
711.81 7.948 36
708.19 7.908 271
706.50 7.889 199
705.56 7.879 237
704.31 7.865 94
703.69 7.858 161
703.19 7.852 179
702.00 7.839 365
700.81 7.826 187
699.44 7.810 275
698.44 7.799 429
697.44 7.788 165
696.94 7.782 107
696.06 7.772 38
695.25 7.763 65
693.94 7.749 67
688.00 7.683 35
685.06 7.650 134
684.63 7.645 114
683.13 7.628 141
681.25 7.607 1000
679.69 7.590 345
678.69 7.579 649
676.50 7.554 266
675.56 7.544 259
675.19 7.539 283
674.38 7.530 406
673.44 7.520 83
672.25 7.507 94
671.06 7.493 104
670.06 7.482 44
664.81 7.424 32
663.13 7.405 33
656.88 7.335 370
651.25 7.272 40
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| 1H NMR |
399.65 MHz |
| C6 H7 N O2 S
|
0.040 g : 0.5 ml DMSO-d6
|
| benzenesulfonamide
|
|
Assign. Shift(ppm)
A 7.851
B 7.58
C 7.37
|
Hz ppm Int.
3145.26 7.871 56
3142.33 7.863 440
3140.87 7.860 489
3139.28 7.856 255
3138.43 7.853 209
3136.84 7.849 200
3134.77 7.844 440
3132.81 7.839 540
3128.78 7.829 30
3128.05 7.827 30
3046.14 7.623 49
3044.31 7.618 50
3039.31 7.605 150
3037.96 7.602 193
3035.28 7.595 239
3034.42 7.593 383
3032.71 7.589 1000
3030.76 7.584 436
3029.30 7.580 229
3026.98 7.575 270
3025.51 7.571 475
3022.34 7.563 96
3021.48 7.561 109
3019.90 7.557 141
3018.31 7.553 81
3016.60 7.549 101
2946.41 7.373 659