2-氯苯甲酰胺(609-66-5)紅外圖譜(IR1)
InChI:InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey: RBGDLYUEXLWQBZ-UHFFFAOYSA-N
Smiles:C(N)(=O)C1=CC=CC=C1Cl
-
Mass
MS-NW-1879
o-chlorobenzamide
C7H6ClNO (Mass of molecular ion: 155)
Source Temperature: 170 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 2.0
27.0 1.1
28.0 1.5
37.0 2.7
37.5 1.0
38.0 3.9
39.0 2.4
44.0 10.7
45.5 1.3
49.0 1.8
50.0 15.6
51.0 9.4
52.0 1.3
61.0 1.3
63.0 1.6
63.5 1.8
65.0 1.8
73.0 2.2
74.0 7.9
75.0 26.0
76.0 7.9
77.0 8.7
84.0 1.4
85.0 3.1
87.0 1.0
90.0 1.0
102.0 1.4
110.0 1.1
111.0 37.7
112.0 5.7
113.0 12.3
114.0 1.6
137.0 1.1
139.0 100.0
140.0 7.6
141.0 31.5
142.0 2.6
155.0 57.7
156.0 4.6
157.0 18.6
158.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H6 Cl N O
|
saturated in CDCl3
|
| o-chlorobenzamide
|
 |
Assign. Shift(ppm)
A 7.773
B 7.42
C 7.40
D 7.35
E *1 6.56
F *1 6.42
J(A,C)=1.4HZ. J(A,D)=7.6HZ.
|
Hz ppm Int.
3118.16 7.803 44
3116.70 7.799 59
3110.84 7.784 517
3109.62 7.781 519
3109.25 7.780 518
3103.39 7.766 585
3101.93 7.762 563
3095.21 7.745 42
2984.25 7.468 41
2983.76 7.466 42
2983.15 7.465 45
2982.18 7.462 48
2981.69 7.461 46
2981.32 7.460 49
2980.71 7.459 54
2980.35 7.458 52
2979.86 7.457 59
2979.13 7.455 67
2978.03 7.452 82
2973.27 7.440 288
2972.05 7.437 358
2969.85 7.432 182
2965.33 7.420 872
2964.11 7.417 1000
2961.43 7.411 523
2961.06 7.410 528
2955.69 7.396 657
2953.98 7.392 631
2948.00 7.377 348
2946.17 7.372 358
2943.12 7.365 495
2941.41 7.360 445
2935.79 7.346 544
2934.20 7.342 517
2928.59 7.328 238
2927.12 7.325 212
2923.83 7.316 65
2923.34 7.315 62
2922.97 7.314 56
2921.02 7.309 45
2919.92 7.307 45
2622.56 6.563 136
2564.21 6.417 132
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| 1H NMR |
89.56 MHz |
| C7 H6 Cl N O
|
0.038 g : 0.5 ml CDCl3
|
| o-chlorobenzamide
|
|
Assign. Shift(ppm)
A 7.75
B 7.60 to 7.12
C 6.5
|
Hz ppm Int.
699.31 7.809 146
698.75 7.803 157
698.06 7.795 155
697.31 7.786 140
696.50 7.777 126
694.56 7.756 217
692.44 7.732 163
691.38 7.720 190
690.88 7.715 189
690.56 7.711 186
670.38 7.486 63
669.94 7.481 74
661.75 7.389 1000
655.88 7.324 241
655.56 7.320 242
653.06 7.292 140
652.56 7.287 146
650.94 7.269 183
583.94 6.521 86