苯甲酰胺(55-21-0)紅外圖譜(IR2)
InChI:InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKey: KXDAEFPNCMNJSK-UHFFFAOYSA-N
Smiles:C(N)(=O)C1=CC=CC=C1
-
Mass
MS-NW-0224
benzamide
C7H7NO (Mass of molecular ion: 121)
Source Temperature: 160 °C
Sample Temperature: 0 °C
Direct, 75 eV
16.0 1.6
26.0 1.2
27.0 4.6
28.0 1.6
37.0 4.4
38.0 5.7
39.0 7.7
43.0 1.0
44.0 13.7
47.0 1.4
49.0 3.0
50.0 30.1
51.0 56.8
52.0 7.8
53.0 1.2
61.0 1.4
62.0 2.5
63.0 2.8
65.0 2.8
73.0 3.1
74.0 13.3
75.0 6.8
76.0 7.4
77.0 100.0
78.0 13.1
92.0 1.1
104.0 1.2
105.0 80.3
106.0 7.3
121.0 68.4
122.0 6.3
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C7 H7 N O
|
0.041 g : 0.5 ml DMSO-d6
|
| benzamide
|
 |
Assign. Shift(ppm)
A *1 8.05
B 7.925
C 7.531
D 7.47
E *1 7.46
|
Hz ppm Int.
3216.80 8.050 220
3171.88 7.937 669
3170.78 7.934 834
3169.31 7.931 458
3165.77 7.922 291
3163.82 7.917 973
3162.23 7.913 712
3019.04 7.555 159
3011.72 7.536 496
3009.40 7.531 175
3005.86 7.522 284
3004.52 7.518 436
3003.17 7.515 251
2992.55 7.488 741
2986.33 7.473 608
2984.99 7.470 1000
2979.49 7.456 372
2977.91 7.452 560
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| 1H NMR |
89.56 MHz |
| C7 H7 N O
|
0.045 g : 0.5 ml DMSO-d6
|
| benzamide
|
|
Assign. Shift(ppm)
A *1 8.0
B 7.92
C 7.49
D 7.47
E *1 7.4
|
Hz ppm Int.
721.88 8.061 88
717.13 8.008 167
714.25 7.976 436
712.31 7.954 483
709.19 7.919 387
707.50 7.900 421
704.50 7.867 555
702.69 7.847 130
700.56 7.823 62
699.88 7.815 57
699.13 7.807 63
681.88 7.614 57
680.38 7.597 54
677.75 7.568 179
676.19 7.551 304
673.38 7.519 1000
671.56 7.499 899
668.38 7.463 485
666.94 7.447 428
666.06 7.438 519
663.88 7.413 207
663.00 7.403 237
661.50 7.387 228
659.06 7.359 124
657.19 7.338 108
655.38 7.318 62
654.81 7.312 58
654.06 7.304 53