4-氯苯甲酰胺(619-56-7)質(zhì)譜(MS)
InChI:InChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey: BLNVISNJTIRAHF-UHFFFAOYSA-N
Smiles:C(N)(=O)C1=CC=C(Cl)C=C1
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Mass
MS-NW-0202
p-chlorobenzamide
C7H6ClNO (Mass of molecular ion: 155)
Source Temperature: 180 °C
Sample Temperature: 0 °C
Direct, 75 eV
16.0 3.8
26.0 1.9
27.0 2.5
28.0 2.3
35.0 1.2
37.0 8.5
37.5 1.2
38.0 10.5
39.0 4.5
41.0 1.3
43.0 2.1
44.0 29.0
46.0 1.6
47.0 1.2
49.0 6.2
50.0 48.3
51.0 22.1
52.0 3.7
53.0 2.4
60.0 1.4
61.0 3.9
62.0 3.5
63.0 4.5
63.5 2.6
64.0 1.5
65.0 3.2
72.0 1.6
73.0 9.4
74.0 34.7
75.0 70.7
76.0 20.2
77.0 9.6
84.0 3.8
85.0 8.4
86.0 1.8
87.0 2.9
90.0 1.0
99.0 2.4
101.0 1.0
102.0 1.0
103.0 1.8
104.0 4.8
109.0 1.4
110.0 3.0
111.0 69.1
112.0 7.2
113.0 22.9
114.0 2.0
126.0 1.0
138.0 1.3
139.0 100.0
140.0 8.3
141.0 31.9
142.0 2.6
155.0 56.3
156.0 5.4
157.0 18.8
158.0 1.8
173.0 1.7
175.0 1.1
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C7 H6 Cl N O
|
0.041 g : 0.5 ml DMSO-d6
|
| p-chlorobenzamide
|
 |
Assign. Shift(ppm)
A *1 8.11
B 7.935
C 7.546
D *1 7.54
|
Hz ppm Int.
3242.31 8.113 159
3178.10 7.953 130
3175.66 7.947 849
3173.71 7.942 267
3168.95 7.930 306
3167.11 7.925 874
3164.43 7.919 112
3020.14 7.557 1000
3018.19 7.553 323
3013.43 7.541 415
3011.72 7.536 946
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| 1H NMR |
89.56 MHz |
| C7 H6 Cl N O
|
0.039 g : 0.5 ml DMSO-d6
|
| p-chlorobenzamide
|
|
Assign. Shift(ppm)
A *1 8.1
B 7.92
C 7.53
D *1 7.5
J(B,C)=8.6HZ
|
Hz ppm Int.
723.06 8.074 126
716.63 8.002 147
714.31 7.976 624
712.38 7.955 227
710.50 7.934 82
707.75 7.903 325
705.69 7.880 943
703.44 7.855 164
680.50 7.599 213
678.44 7.576 1000
676.44 7.553 312
674.75 7.535 141
671.69 7.500 365
669.88 7.480 721
668.00 7.459 164
667.56 7.454 168
665.13 7.427 79
664.69 7.422 73
663.94 7.414 63