产品名称:4-HEPTANOYLBIPHENYL
CAS:59662-27-0
分子式:C19H22O
分子量: 266.38
InChI:InChI=1S/C19H22O/c1-2-3-4-8-11-19(20)18-14-12-17(13-15-18)16-9-6-5-7-10-16/h5-7,9-10,12-15H,2-4,8,11H2,1H3
InChIKey: YCPKHSFFVZYFMP-UHFFFAOYSA-N
Smiles:C(C1=CC=C(C2=CC=CC=C2)C=C1)(=O)CCCCCC
MS
1HNMR
13CNMR
IR1
IR2
Mass
MS-IW-1313 4-heptanoylbiphenyl C19H22O (Mass of molecular ion: 266)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
41.0 1.7 43.0 1.4 55.0 2.1 76.0 2.5 77.0 1.3 126.0 1.0 127.0 2.1 150.0 1.1 151.0 6.1 152.0 29.6 153.0 23.7 154.0 5.5 165.0 2.1 167.0 4.7 168.0 1.0 178.0 2.7 179.0 1.3 180.0 2.3 181.0 88.8 182.0 12.8 183.0 1.7 191.0 1.0 193.0 3.3 196.0 100.0 197.0 15.6 198.0 1.3 205.0 1.3 209.0 6.7 210.0 1.3 248.0 1.0 250.0 2.4 266.0 17.4 267.0 3.8
400 MHz in CDCl3
Assign. Shift(ppm) A 8.027 B 7.671 C 7.621 D 7.463 E 7.396 F 2.983 G 1.753 J 1.39 K 1.33 L 0.900
Hz ppm Int.
3215.58 8.046 122 3213.62 8.042 759 3211.67 8.037 244 3207.03 8.025 270 3205.08 8.020 782 3203.25 8.016 141 3072.75 7.689 147 3070.80 7.684 866 3068.97 7.680 264 3064.21 7.668 267 3062.26 7.663 711 3060.42 7.658 129 3051.27 7.635 384 3049.80 7.632 565 3047.85 7.627 153 3044.19 7.618 296 3042.85 7.614 607 3039.55 7.606 90 2991.46 7.486 190 2990.48 7.483 295 2988.65 7.479 113 2983.28 7.465 656 2981.81 7.462 314 2977.05 7.450 193 2975.59 7.446 396 2973.51 7.441 75 2962.52 7.413 159 2961.18 7.410 284 2959.84 7.407 155 2956.18 7.397 106 2953.98 7.392 316 2951.54 7.386 79 2947.88 7.377 69 2946.53 7.373 107 2945.31 7.370 57 1199.95 3.003 454 1192.63 2.985 640 1189.09 2.976 67 1185.06 2.966 495 716.43 1.793 76 709.23 1.775 205 701.66 1.756 314 698.00 1.747 82 694.46 1.738 226 686.77 1.719 112 573.73 1.436 43 566.89 1.419 127 565.31 1.415 121 560.42 1.403 176 559.81 1.401 175 557.98 1.397 169 554.57 1.388 140 552.98 1.384 153 551.27 1.380 174 548.71 1.373 119 547.73 1.371 118 545.90 1.366 151 544.80 1.364 141 541.02 1.354 224 537.35 1.345 555 534.42 1.338 480 530.52 1.328 479 526.49 1.318 293 523.07 1.309 145 366.58 0.918 346 364.50 0.913 204 363.16 0.909 242 359.50 0.900 1000 353.76 0.886 203 352.42 0.882 286 349.73 0.876 62
in CDCl3
KBr disc
nujol mull
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4-HEPTANOYLBIPHENYL(59662-27-0)质谱(MS)相关产品图谱