4-Biphenylcarbonyl chloride(14002-51-8) 13C NMR
Product Name4-Biphenylcarbonyl chloride
CAS14002-51-8
Molecular FormulaC13H9ClO
Molecular Weight216.66
InChIInChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey JPVUWCPKMYXOKW-UHFFFAOYSA-N
SmilesC(Cl)(C1=CC=C(C2=CC=CC=C2)C=C1)=O
-
MassMS-IW-0590 4-biphenylcarbonyl chloride C13H9ClO (Mass of molecular ion: 216)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
51.0 1.4 63.0 2.7 75.0 1.8 75.5 2.2 76.0 11.3 76.5 3.8 77.0 1.9 90.5 4.4 94.0 1.1 102.0 1.0 126.0 1.6 127.0 2.2 150.0 2.0 151.0 7.6 152.0 29.8 153.0 28.7 154.0 3.7 181.0 100.0 182.0 14.5 183.0 1.2 216.0 26.0 217.0 3.8 218.0 8.7 219.0 1.2
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C13 H9 Cl O 0.045 g : 0.5 ml CDCl3 4-biphenylcarbonyl chloride 
Assign. Shift(ppm)
A 8.158 B 7.70 C 7.62 D 7.49 E 7.42 C,D AND E WERE CONFIRMED BY LAOCN PROGRAM. 400MHZ : HSP-41-772
Hz ppm Int.737.75 8.238 89 735.81 8.216 735 735.25 8.210 413 733.81 8.194 243 729.06 8.141 268 727.00 8.118 994 725.13 8.097 160 695.56 7.767 154 693.69 7.746 1000 691.63 7.723 302 689.94 7.704 115 688.56 7.689 189 686.94 7.671 341 685.44 7.654 561 684.88 7.648 781 683.94 7.637 339 681.19 7.606 327 680.06 7.594 553 678.44 7.576 619 675.19 7.539 280 673.88 7.525 303 673.06 7.516 233 671.44 7.498 562 670.75 7.490 538 669.38 7.475 438 668.38 7.463 284 667.06 7.449 358 665.94 7.436 506 663.69 7.411 540
-
1H NMR 399.65 MHz C13 H9 Cl O saturated in CDCl3 4-biphenylcarbonyl chloride Assign. Shift(ppm)
A 8.196 B 7.711 C 7.648 D 7.485 E 7.420 90MHZ : HSP-02-728
Hz ppm Int.3285.03 8.220 31 3283.81 8.217 46 3281.86 8.212 155 3280.03 8.208 819 3278.08 8.203 368 3275.63 8.197 71 3275.02 8.195 69 3273.32 8.191 295 3271.36 8.186 1000 3269.65 8.182 225 3267.58 8.177 47 3266.72 8.174 33 3091.43 7.736 31 3090.94 7.735 37 3089.84 7.732 45 3087.65 7.726 161 3085.82 7.722 861 3083.86 7.717 336 3081.42 7.711 71 3081.05 7.710 69 3079.22 7.705 281 3077.15 7.700 854 3075.44 7.696 181 3073.61 7.691 61 3072.88 7.689 50 3072.39 7.688 45 3072.02 7.687 47 3071.41 7.686 43 3070.56 7.684 43 3069.95 7.682 41 3069.70 7.681 41 3068.85 7.679 45 3067.87 7.677 45 3067.02 7.675 51 3066.04 7.672 52 3064.94 7.670 64 3062.13 7.663 428 3060.67 7.659 641 3058.72 7.654 212 3055.05 7.645 288 3054.69 7.644 290 3053.71 7.641 615 3053.22 7.640 555 3052.49 7.638 590 3050.42 7.633 113 3048.71 7.629 37 3005.37 7.521 30 3004.03 7.517 31 3003.30 7.515 39 3002.69 7.514 43 3000.61 7.509 206 2999.51 7.506 342 2997.80 7.502 154 2996.34 7.498 78 2992.43 7.488 699 2990.97 7.484 388 2988.16 7.477 68 2986.21 7.473 213 2984.74 7.469 426 2984.25 7.468 376 2981.32 7.460 77 2980.10 7.457 45 2979.74 7.456 41 2979.13 7.455 37 2978.39 7.453 31 2977.66 7.451 34 2976.81 7.449 37 2976.32 7.448 32 2975.95 7.447 34 2975.22 7.445 37 2974.37 7.443 44 2972.05 7.437 184 2970.70 7.434 326 2969.36 7.430 200 2967.04 7.425 42 2966.67 7.424 40 2965.70 7.421 121 2963.38 7.415 356 2961.06 7.410 93 2959.72 7.406 34 2957.40 7.400 72 2956.18 7.397 119 2954.83 7.394 71 2954.10 7.392 37
in CDCl3
KBr disc
nujol mull
