亚氨基芪(256-96-2)核磁图(1HNMR)
InChI:InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
InChIKey: LCGTWRLJTMHIQZ-UHFFFAOYSA-N
Smiles:N1C2=CC=CC=C2C=CC2=CC=CC=C12
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Mass
MS-NW-8234
5H-dibenz(b,f)azepine
C14H11N (Mass of molecular ion: 193)
Source Temperature: 160 °C
Sample Temperature: 110 °C
Direct, 75 eV
63.0 1.3
81.5 1.0
82.0 1.4
82.5 1.8
83.5 5.0
89.0 1.6
90.0 1.1
95.5 5.1
96.0 1.3
96.5 6.3
97.0 1.0
139.0 1.8
140.0 1.3
163.0 1.9
164.0 2.5
165.0 11.5
166.0 4.3
167.0 5.4
177.0 1.0
178.0 1.0
190.0 5.4
191.0 12.0
192.0 21.9
193.0 100.0
194.0 15.6
195.0 1.4
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C14 H11 N
|
0.049 g : 0.5 ml DMSO-d6
|
| 5H-dibenz(b,f)azepine
|
 |
Assign. Shift(ppm)
A 6.959
B 6.93
C 6.732
D 6.685
E 6.621
F 6.069
90MHZ : HSP-04-955
|
Hz ppm Int.
2790.53 6.983 154
2788.70 6.978 181
2782.59 6.963 276
2781.49 6.960 301
2775.39 6.945 207
2773.68 6.941 245
2769.65 6.931 252
2700.07 6.757 30
2696.66 6.748 186
2695.07 6.744 232
2689.21 6.729 402
2687.62 6.725 402
2678.34 6.702 264
2677.37 6.700 318
2671.14 6.684 311
2670.04 6.681 366
2663.70 6.666 132
2662.72 6.663 151
2649.54 6.630 377
2641.60 6.610 333
2425.54 6.070 1000
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| 1H NMR |
89.56 MHz |
| C14 H11 N
|
0.042 g : 0.5 ml DMSO-d6
|
| 5H-dibenz(b,f)azepine
|
|
Assign. Shift(ppm)
A 6.94
B 6.90
C 6.73
D 6.69
E 6.063
400MHZ : HSP-42-304
CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
632.24 7.060 98
630.96 7.046 30
630.62 7.042 30
628.99 7.024 112
627.97 7.012 44
626.43 6.995 135
624.72 6.976 161
623.69 6.964 138
622.41 6.950 144
620.96 6.934 185
618.74 6.909 331
615.66 6.875 334
611.56 6.829 61
610.28 6.815 54
606.95 6.778 110
603.87 6.743 194
602.50 6.728 753
601.65 6.718 597
599.51 6.694 338
596.95 6.666 406
596.35 6.659 454
595.75 6.652 416
595.07 6.645 432
590.80 6.597 65
588.23 6.569 238
543.12 6.065 1000
537.90 6.007 34