gamma-oxo-alpha-phenylbenzenebutyronitrile
Product Name gamma-oxo-alpha-phenylbenzenebutyronitrile
CAS6268-00-4
MFC16H13NO
MW235.28
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MassMS-NW-6250 3-benzoyl-2-phenylpropionitrile C16H13NO (Mass of molecular ion: 235)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.3 18.0 5.4 27.0 3.3 28.0 1.5 38.0 1.1 39.0 5.7 50.0 7.1 51.0 25.3 52.0 3.2 62.0 1.8 63.0 4.4 64.0 1.5 65.0 3.3 74.0 2.3 75.0 2.6 76.0 4.1 77.0 73.1 78.0 8.5 88.0 1.0 89.0 6.5 90.0 1.8 91.0 3.7 102.0 3.1 103.0 27.7 104.0 5.7 105.0 100.0 106.0 20.4 107.0 1.7 116.0 8.1 117.0 1.3 128.0 1.8 129.0 19.8 130.0 67.8 131.0 9.5 165.0 1.1 178.0 1.3 179.0 2.1 206.0 1.9 207.0 7.2 208.0 6.4 209.0 2.0 232.0 1.3 233.0 1.7 234.0 1.8 235.0 61.2 236.0 10.8 237.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C16 H13 N O 0.042 g : 0.5 ml CDCl3 3-benzoyl-2-phenylpropionitrile 
Assign. Shift(ppm)
A 7.918 B 7.583 C 7.46 D 7.43 E 7.385 F 7.33 G 4.554 J *1 3.717 K *1 3.506 J(J,K)=18.0HZ. J(J,G)=8.0HZ. J(K,G)=5.9HZ.
Hz ppm Int.3170.90 7.935 139 3169.07 7.930 646 3167.85 7.927 780 3162.72 7.914 251 3160.64 7.909 859 3159.30 7.906 745 3040.41 7.608 120 3039.06 7.605 222 3037.84 7.602 134 3035.40 7.596 39 3033.57 7.591 161 3031.62 7.586 477 3029.91 7.582 175 3027.83 7.577 37 3025.51 7.571 217 3024.29 7.568 374 3022.95 7.564 198 2999.88 7.507 31 2999.51 7.506 30 2998.54 7.503 31 2998.29 7.503 31 2996.83 7.499 33 2991.58 7.486 75 2989.99 7.482 175 2988.28 7.478 628 2986.82 7.474 296 2980.35 7.458 849 2979.13 7.455 314 2975.46 7.446 399 2973.02 7.440 714 2971.44 7.436 300 2968.02 7.427 454 2966.67 7.424 805 2965.82 7.422 791 2963.38 7.415 184 2959.59 7.406 399 2958.25 7.403 581 2955.93 7.397 181 2953.49 7.391 243 2952.15 7.387 589 2951.29 7.385 1000 2949.58 7.381 366 2947.51 7.376 84 2945.31 7.370 275 2943.73 7.366 444 2941.53 7.361 96 2939.94 7.357 60 2937.26 7.350 276 2935.67 7.346 468 2934.33 7.343 204 2931.27 7.335 162 2928.59 7.328 391 2925.66 7.321 100 2922.97 7.314 86 2921.63 7.311 121 2920.04 7.307 71 1827.15 4.572 291 1823.73 4.564 41 1821.29 4.558 334 1819.21 4.553 327 1815.80 4.544 40 1815.43 4.543 40 1813.23 4.538 309 1499.88 3.753 396 1491.82 3.733 380 1481.81 3.708 576 1479.49 3.702 31 1473.75 3.688 551 1411.50 3.532 564 1407.96 3.523 37 1405.52 3.517 568 1393.43 3.487 398 1387.57 3.472 378
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1H NMR 89.56 MHz C16 H13 N O 0.040 g : 0.5 ml CDCl3 3-benzoyl-2-phenylpropionitrile Assign. Shift(ppm)
A 7.911 B 7.60 C 7.60 to 7.23 D 4.552 E *1 3.69 F *1 3.53 J(D,E)=7.7HZ. J(D,F)=6.4HZ. J(E,F)=17.9HZ.
Hz ppm Int.713.81 7.971 234 712.25 7.953 276 711.13 7.941 116 710.56 7.934 110 709.88 7.927 106 708.19 7.908 100 706.19 7.886 285 704.06 7.862 371 680.94 7.604 121 679.94 7.593 148 677.31 7.563 89 675.94 7.548 226 673.75 7.523 470 673.19 7.517 435 671.94 7.503 247 669.06 7.471 215 668.00 7.459 192 667.38 7.452 205 665.75 7.434 393 664.31 7.418 378 662.56 7.398 922 661.13 7.382 1000 660.06 7.371 442 658.13 7.349 322 657.06 7.337 150 656.25 7.328 163 653.75 7.300 90 653.06 7.292 85 415.13 4.636 142 408.69 4.564 222 407.63 4.552 184 401.19 4.480 203 348.56 3.892 89 330.63 3.692 362 323.00 3.607 344 321.88 3.595 384 315.44 3.523 324 303.88 3.394 86
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
