1,2-苯并芴(238-84-6)紅外圖譜(IR2)
InChI:InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2
InChIKey: HKMTVMBEALTRRR-UHFFFAOYSA-N
Smiles:C1C2=C(C=CC=C2)C2=C1C1=CC=CC=C1C=C2
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Mass
MS-NW-1242
benzo(a)fluorene
C17H12 (Mass of molecular ion: 216)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 1.9
63.0 1.1
78.0 1.0
81.5 1.2
93.5 2.9
94.0 2.0
94.5 6.6
95.0 1.2
105.5 1.4
106.0 1.7
106.5 6.9
107.0 4.3
107.5 11.2
108.0 8.9
108.5 1.4
163.0 1.3
187.0 2.4
188.0 1.3
189.0 3.7
211.0 1.6
212.0 1.2
213.0 11.9
214.0 3.9
215.0 53.0
216.0 100.0
217.0 17.3
218.0 2.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C17 H12
|
7.4 mg : 0.5 ml CDCl3
|
| benzo(a)fluorene
|
 |
Assign. Shift(ppm)
A 8.009
B 7.912
C 7.911
D 7.873
E 7.829
F 7.626
G 7.539
J 7.463
K 7.408
L 7.325
M 4.179
J(B,D)=8.4HZ. J(E,L)=7.4HZ. J(F,L)=1.2HZ.
|
Hz ppm Int.
3206.67 8.024 118
3205.93 8.022 236
3205.20 8.021 229
3204.71 8.019 249
3203.98 8.017 149
3198.49 8.004 136
3197.63 8.002 262
3197.02 8.000 249
3196.41 7.999 278
3195.68 7.997 166
3168.46 7.929 308
3165.53 7.921 294
3162.11 7.913 63
3160.03 7.907 740
3157.96 7.902 279
3157.35 7.901 298
3156.86 7.900 274
3153.93 7.892 51
3151.73 7.887 47
3149.05 7.880 407
3145.75 7.872 47
3143.31 7.866 47
3140.75 7.859 182
3132.93 7.840 281
3132.08 7.838 224
3126.22 7.823 211
3125.49 7.821 299
3124.39 7.818 230
3052.73 7.639 191
3051.64 7.636 239
3050.78 7.634 202
3049.93 7.632 92
3045.29 7.620 222
3044.56 7.619 270
3043.46 7.616 222
3042.60 7.614 99
3021.61 7.561 160
3020.26 7.558 182
3014.77 7.544 232
3013.43 7.541 333
3012.08 7.537 162
3006.59 7.524 219
3005.25 7.520 211
2989.99 7.482 246
2988.65 7.479 262
2983.15 7.465 183
2981.81 7.462 383
2980.59 7.459 261
2974.98 7.444 173
2973.75 7.441 158
2969.36 7.430 129
2968.75 7.429 129
2968.14 7.427 137
2961.91 7.412 285
2961.30 7.410 262
2960.69 7.409 275
2960.08 7.407 153
2955.08 7.395 96
2954.35 7.393 178
2953.86 7.392 157
2953.25 7.390 168
2952.64 7.389 90
2934.45 7.343 294
2933.23 7.340 310
2927.00 7.324 439
2925.90 7.322 433
2919.56 7.306 177
2918.46 7.303 176
1670.17 4.180 1000
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| 1H NMR |
89.56 MHz |
| C17 H12
|
0.048 g : 0.5 ml CDCl3
|
| benzo(a)fluorene
|
|
Assign. Shift(ppm)
A 8.011
B 7.919
C 7.91
D 7.87
E 7.83
F 7.63
G 7.54
J 7.46
K 7.41
L 7.32
M 4.178
THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
J(A,G)=8.30HZ. J(B,D)=8.30HZ.
J(C,J)=8.1HZ. J(E,K)=7.6HZ.
J(E,F)=0.8HZ. J(F,L)=7.45HZ. J(F,K)=1.22HZ.
J(A,J)=1.22HZ. J(E,L)=1.22HZ.
J(K,M)=0.6HZ
|
Hz ppm Int.
715.75 7.992 82
713.63 7.969 80
713.19 7.964 84
709.75 7.925 137
708.81 7.915 95
707.56 7.901 186
706.13 7.885 171
706.00 7.883 171
701.69 7.835 1000
699.31 7.809 211
695.31 7.764 86
693.44 7.743 132
692.63 7.734 149
682.63 7.623 68
681.81 7.613 78
680.75 7.602 69
679.69 7.590 68
679.00 7.582 59
677.63 7.567 93
675.94 7.548 113
674.88 7.536 92
673.88 7.525 170
672.94 7.514 273
670.56 7.488 279
669.13 7.472 96
666.88 7.447 378
663.00 7.403 263
661.63 7.388 218
661.13 7.382 224
660.31 7.373 138
659.81 7.368 140
658.13 7.349 234
657.06 7.337 97
655.56 7.320 315
652.69 7.288 95
651.38 7.274 144
650.75 7.267 79
649.63 7.254 131
642.63 7.176 93
366.13 4.089 590