四甲基茚(243-17-4)質(zhì)譜(MS)
InChI:InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2
InChIKey: HAPOJKSPCGLOOD-UHFFFAOYSA-N
Smiles:C1C2=C(C=CC=C2)C2=C1C=C1C=CC=CC1=C2
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Mass
MS-NW-0120
11H-benzo(b)fluorene
C17H12 (Mass of molecular ion: 216)
Source Temperature: 160 °C
Sample Temperature: 0 °C
Direct, 75 eV
93.5 2.1
94.0 1.4
94.5 4.5
106.0 1.2
106.5 4.7
107.0 3.5
107.5 9.6
108.0 8.3
108.5 1.3
163.0 1.4
187.0 2.5
188.0 1.5
189.0 3.3
211.0 1.8
212.0 1.3
213.0 13.5
214.0 4.5
215.0 72.1
216.0 100.0
217.0 17.5
218.0 2.3
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C17 H12
|
19.9 mg : 0.5 ml CDCl3
|
| 11H-benzo(b)fluorene
|
 |
Assign. Shift(ppm)
A 8.179
B 7.93
C 7.92
D 7.841
E 7.553
F *1 7.46
G *1 7.44
J 7.408
K 7.346
L 4.057
|
Hz ppm Int.
3268.80 8.180 697
3173.22 7.940 56
3169.68 7.932 706
3168.09 7.928 777
3160.28 7.908 515
3155.27 7.896 43
3154.30 7.893 45
3153.93 7.892 44
3141.11 7.860 35
3138.79 7.854 198
3134.40 7.843 101
3134.03 7.842 103
3132.32 7.838 168
3129.27 7.831 219
3126.10 7.823 45
3023.56 7.566 208
3022.71 7.564 261
3021.73 7.561 203
3019.29 7.555 41
3016.11 7.547 256
3015.14 7.545 305
3014.40 7.543 237
2990.97 7.484 49
2988.77 7.479 105
2984.01 7.467 351
2982.18 7.462 588
2978.39 7.453 677
2974.61 7.444 536
2972.66 7.439 320
2967.90 7.427 227
2965.82 7.422 83
2964.11 7.417 38
2961.18 7.410 305
2960.45 7.408 286
2959.96 7.407 284
2955.93 7.397 33
2953.74 7.391 211
2953.13 7.390 190
2952.39 7.388 183
2942.63 7.364 281
2941.28 7.360 325
2937.87 7.352 36
2937.50 7.351 35
2935.18 7.345 386
2933.96 7.342 379
2927.86 7.327 147
2926.64 7.324 135
1621.58 4.058 1000
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| 1H NMR |
89.56 MHz |
| C17 H12
|
0.020 g : 0.5 ml CDCl3
|
| 11H-benzo(b)fluorene
|
|
Assign. Shift(ppm)
A 8.170
B 8.04 to 7.73
C 7.63 to 7.28
D 4.051
400MHZ : HSP-40-346
|
Hz ppm Int.
731.81 8.172 706
717.94 8.017 70
717.56 8.013 73
716.75 8.004 72
713.13 7.963 332
710.19 7.930 812
708.75 7.914 621
707.81 7.904 489
707.00 7.895 422
706.13 7.885 335
705.63 7.879 381
704.25 7.864 555
701.06 7.828 232
700.56 7.823 218
697.25 7.786 256
693.63 7.745 75
681.25 7.607 121
680.38 7.597 142
679.56 7.588 103
679.06 7.583 119
678.06 7.572 120
676.94 7.559 122
676.81 7.558 122
674.88 7.536 312
673.94 7.526 235
673.25 7.518 208
672.38 7.508 372
670.94 7.492 891
667.94 7.459 417
667.25 7.451 436
664.81 7.424 660
664.31 7.418 559
662.31 7.396 748
661.38 7.385 660
659.19 7.361 846
657.50 7.342 114
655.69 7.322 421
653.75 7.300 285
362.88 4.052 1000