Product NameBENZO[B]NAPHTHO[2,3-D]FURAN
CAS243-42-5
Molecular FormulaC16H10O
Molecular Weight218.25
InChIInChI=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
SmilesO1C2=CC3C(C=C2C2=CC=CC=C12)=CC=CC=3
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
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) |
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
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) |
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
in CDCl3
KBr disc
BENZO[B]NAPHTHO[2,3-D]FURAN(243-42-5) 13C NMR Atlas of Related Products
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