5.6-苯并喹啉(85-02-9)核磁圖(1HNMR)
InChI:InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
InChIKey: HCAUQPZEWLULFJ-UHFFFAOYSA-N
Smiles:N1C2C(=C3C=CC=CC3=CC=2)C=CC=1
-
Mass
MS-NW-3899
benzo(f)quinoline
C13H9N (Mass of molecular ion: 179)
Source Temperature: 270 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
50.0 1.6
51.0 1.5
62.0 1.3
63.0 3.6
74.0 1.9
75.0 3.6
75.5 2.1
76.0 7.7
89.0 1.5
89.5 3.7
125.0 1.0
126.0 2.7
150.0 4.5
151.0 10.8
152.0 8.9
153.0 2.7
177.0 4.1
178.0 18.4
179.0 100.0
180.0 14.8
181.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C13 H9 N
|
12.9 mg : 0.5 ml CDCl3
|
| benzo(f)quinoline
|
 |
Assign. Shift(ppm)
A 8.97
B 8.95
C 8.620
D 7.996
E 7.990
F 7.939
G *1 7.697
J *1 7.659
K 7.557
|
Hz ppm Int.
3586.79 8.975 185
3585.21 8.971 270
3582.40 8.964 224
3580.81 8.960 457
3578.74 8.955 208
3576.05 8.948 34
3575.68 8.948 34
3575.32 8.947 34
3574.71 8.945 32
3572.02 8.938 275
3570.31 8.934 204
3449.71 8.632 206
3449.22 8.631 214
3448.36 8.629 226
3441.04 8.611 220
3440.43 8.609 232
3204.22 8.018 77
3198.00 8.003 31
3195.07 7.995 988
3194.58 7.994 1000
3193.73 7.992 994
3189.58 7.981 43
3188.96 7.980 37
3188.60 7.979 32
3188.11 7.978 30
3187.87 7.977 30
3186.52 7.974 30
3184.45 7.969 79
3178.10 7.953 223
3177.61 7.951 222
3176.64 7.949 224
3175.78 7.947 192
3173.58 7.941 32
3172.24 7.938 30
3170.29 7.933 304
3168.82 7.929 273
3085.69 7.721 129
3084.11 7.718 150
3078.61 7.704 304
3077.03 7.700 278
3075.93 7.697 153
3074.71 7.694 37
3074.34 7.693 30
3070.68 7.684 320
3068.97 7.680 283
3067.14 7.675 310
3065.55 7.671 340
3063.35 7.666 31
3060.06 7.657 200
3059.33 7.656 280
3057.98 7.652 278
3052.25 7.638 140
3050.90 7.634 118
3026.61 7.574 376
3022.22 7.563 367
3018.31 7.553 369
3013.92 7.542 367
-
| 1H NMR |
89.56 MHz |
| C13 H9 N
|
0.045 g : 0.5 ml CDCl3
|
| benzo[f]quinoline
|
|
Assign. Shift(ppm)
A 8.93
B 8.86
C 8.53
D 7.95
E 8.07 to 7.48
F 7.482
|
Hz ppm Int.
802.81 8.964 199
801.13 8.946 354
798.31 8.914 321
797.63 8.907 295
796.75 8.897 412
789.25 8.813 245
787.63 8.795 169
769.50 8.593 123
769.13 8.588 129
766.69 8.561 90
764.94 8.542 132
761.81 8.507 102
759.63 8.482 159
712.63 7.958 746
712.06 7.951 1000
708.63 7.913 148
706.00 7.883 161
704.50 7.867 158
701.75 7.836 256
701.13 7.829 227
698.25 7.797 60
691.50 7.722 103
687.19 7.673 394
686.00 7.660 388
684.50 7.643 235
682.31 7.619 380
681.38 7.609 357
679.19 7.584 217
676.94 7.559 314
675.81 7.546 393
671.38 7.497 355
667.44 7.453 331
663.00 7.403 315