間氯苯甲酰胺(618-48-4)質(zhì)譜(MS)
InChI:InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey: MJTGQALMWUUPQM-UHFFFAOYSA-N
Smiles:C(N)(=O)C1=CC=CC(Cl)=C1
-
Mass
MS-NW-0261
m-chlorobenzamide
C7H6ClNO (Mass of molecular ion: 155)
Source Temperature: 150 °C
Sample Temperature: 0 °C
Direct, 75 eV
18.0 1.0
37.0 1.6
38.0 2.5
39.0 1.1
44.0 8.1
49.0 1.2
50.0 11.0
51.0 6.3
61.0 1.0
63.0 1.0
63.5 1.5
65.0 1.1
73.0 1.9
74.0 7.1
75.0 22.1
76.0 6.6
77.0 5.2
84.0 1.0
85.0 2.5
110.0 1.1
111.0 48.3
112.0 5.3
113.0 15.6
114.0 1.5
139.0 100.0
140.0 8.0
141.0 32.3
142.0 2.6
155.0 72.3
156.0 6.0
157.0 23.5
158.0 1.9
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C7 H6 Cl N O
|
0.040 g : 0.5 ml DMSO-d6
|
| m-chlorobenzamide
|
 |
Assign. Shift(ppm)
A *1 8.16
B 7.957
C 7.881
D 7.62
E *1 7.60
F 7.521
|
Hz ppm Int.
3260.86 8.160 300
3182.50 7.964 604
3180.66 7.959 1000
3178.96 7.955 661
3154.91 7.895 401
3153.81 7.892 535
3152.22 7.888 388
3147.22 7.875 448
3146.00 7.872 568
3144.53 7.869 414
3048.95 7.630 376
3047.85 7.627 439
3046.88 7.624 410
3045.78 7.622 420
3040.89 7.609 755
3039.92 7.607 809
3038.82 7.604 849
3037.72 7.601 738
3012.82 7.539 685
3005.00 7.520 996
2997.19 7.500 418
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| 1H NMR |
89.56 MHz |
| C7 H6 Cl N O
|
0.035 g : 0.5 ml DMSO-d6
|
| m-chlorobenzamide
|
|
Assign. Shift(ppm)
A *1 8.09
B 7.93
C 7.86
D 7.59
E *1 7.54
F 7.52
|
Hz ppm Int.
724.69 8.092 141
716.44 8.000 77
715.69 7.992 77
714.63 7.980 96
712.56 7.957 245
711.00 7.939 588
710.38 7.932 512
709.00 7.917 707
708.38 7.910 456
707.19 7.897 395
705.25 7.875 182
704.06 7.862 95
702.31 7.842 327
700.88 7.826 336
700.31 7.820 402
698.69 7.802 286
696.81 7.781 66
696.31 7.775 56
695.88 7.770 53
694.56 7.756 50
694.44 7.754 50
693.75 7.747 51
693.38 7.743 48
692.94 7.738 50
692.50 7.733 45
691.88 7.726 47
691.56 7.722 47
690.69 7.713 50
690.19 7.707 51
688.81 7.692 59
687.94 7.682 95
687.31 7.675 73
685.94 7.660 194
683.88 7.637 173
679.94 7.593 604
678.06 7.572 1000
676.69 7.556 680
676.00 7.549 504
674.63 7.533 207
673.94 7.526 192
672.69 7.512 186
670.81 7.491 430
670.19 7.484 415
668.88 7.469 160
666.69 7.445 77
666.25 7.440 69
665.63 7.433 63
664.63 7.422 59
664.25 7.417 54
663.94 7.414 60
662.88 7.402 127
662.31 7.396 113