2,3-BENZODIPHENYLENE OXIDE(243-42-5)红外图谱(IR1)
InChI:InChI=1S/C16H10O/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H
InChIKey: FTMRMQALUDDFQO-UHFFFAOYSA-N
Smiles:O1C2=CC3C(C=C2C2=CC=CC=C12)=CC=CC=3
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Mass
MS-NW-0105
benzo(b)naphtho(2,3-d)furan
C16H10O (Mass of molecular ion: 218)
Source Temperature: 190 °C
Sample Temperature: 0 °C
Direct, 75 eV
39.0 1.0
63.0 2.1
74.0 1.3
75.0 1.1
81.5 2.4
86.0 1.0
87.0 1.4
93.5 1.7
94.0 2.2
94.5 6.4
95.0 1.1
109.0 6.5
109.5 1.2
139.0 1.3
163.0 4.6
164.0 1.4
187.0 4.5
188.0 3.5
189.0 22.2
190.0 3.6
213.0 1.2
215.0 6.4
216.0 10.9
217.0 2.7
218.0 100.0
219.0 17.4
220.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C16 H10 O
|
21.5 mg : 0.7 ml CDCl3
|
| benzo(b)naphtho(2,3-d)furan
|
 |
Assign. Shift(ppm)
A 8.383
B 8.044
C *1 8.012
D *1 7.953
E 7.902
F 7.559
G *2 7.51
J *2 7.50
K 7.47
L 7.358
|
Hz ppm Int.
3350.46 8.384 931
3345.58 8.372 47
3344.73 8.370 39
3224.24 8.068 30
3223.14 8.065 37
3222.29 8.063 41
3219.60 8.057 392
3218.99 8.055 431
3218.26 8.053 427
3217.65 8.052 368
3215.33 8.046 56
3214.84 8.045 55
3211.91 8.037 425
3211.30 8.036 476
3210.69 8.034 453
3209.96 8.032 398
3206.54 8.024 379
3205.81 8.022 345
3203.00 8.015 82
3198.49 8.004 395
3197.88 8.002 370
3197.14 8.000 318
3192.14 7.988 33
3190.67 7.984 31
3189.82 7.982 30
3188.72 7.979 30
3186.16 7.973 38
3182.86 7.965 336
3182.25 7.963 358
3179.08 7.955 49
3178.71 7.954 48
3174.80 7.944 370
3174.07 7.943 399
3173.46 7.941 315
3169.07 7.930 47
3168.46 7.929 44
3167.97 7.927 41
3167.36 7.926 36
3166.75 7.924 36
3166.02 7.922 35
3165.04 7.920 34
3164.67 7.919 34
3157.96 7.902 1000
3155.15 7.895 108
3154.79 7.894 107
3026.98 7.575 295
3026.25 7.573 351
3025.27 7.570 289
3023.80 7.567 79
3022.83 7.564 78
3021.85 7.562 75
3018.80 7.554 603
3018.07 7.552 703
3017.70 7.551 651
3017.09 7.550 514
3012.70 7.539 58
3012.21 7.538 56
3011.84 7.537 57
3010.25 7.533 210
3008.91 7.529 240
3007.45 7.526 69
3005.25 7.520 445
3003.91 7.517 659
3002.20 7.513 475
3000.73 7.509 241
2998.05 7.502 529
2996.83 7.499 581
2995.61 7.496 618
2994.02 7.492 397
2991.94 7.487 435
2990.36 7.483 555
2988.53 7.478 301
2985.23 7.470 251
2983.76 7.466 474
2982.42 7.463 444
2978.76 7.454 124
2977.05 7.450 218
2975.71 7.446 205
2948.00 7.377 381
2946.90 7.374 371
2945.31 7.370 34
2944.82 7.369 36
2940.43 7.358 501
2939.70 7.356 456
2933.23 7.340 300
2932.13 7.337 277
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| 1H NMR |
89.56 MHz |
| C16 H10 O
|
0.005 g : 0.5 ml CDCl3
|
| benzo(b)naphtho(2,3-d)furan
|
|
Assign. Shift(ppm)
A 8.382
B 8.23 to 7.75
C 7.90
D 7.65 to 7.14
|
Hz ppm Int.
750.75 8.383 624
746.38 8.334 42
734.81 8.205 43
732.50 8.179 79
729.00 8.140 84
728.69 8.137 84
725.56 8.102 220
724.50 8.090 314
722.69 8.070 377
722.19 8.064 369
717.94 8.017 551
716.81 8.004 546
716.00 7.995 477
712.88 7.960 460
707.50 7.900 1000
699.38 7.810 57
698.25 7.797 61
697.63 7.790 58
693.31 7.742 30
690.50 7.710 34
686.88 7.670 32
686.25 7.663 31
685.94 7.660 31
685.31 7.652 34
684.06 7.639 44
681.81 7.613 129
679.56 7.588 188
677.50 7.565 476
676.06 7.549 707
675.19 7.539 664
674.25 7.529 898
671.63 7.500 701
670.06 7.482 870
666.88 7.447 405
665.31 7.429 718
662.06 7.393 394
659.63 7.366 263
658.06 7.348 310
656.19 7.327 180
655.38 7.318 222
654.19 7.305 101
652.13 7.282 142
643.75 7.188 38
642.69 7.177 33