4-Bromobiphenyl(92-66-0) MS
Product Name4-Bromobiphenyl
CAS92-66-0
Molecular FormulaC12H9Br
Molecular Weight233.1
InChIInChI=1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey PKJBWOWQJHHAHG-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(Br)C=C1
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MassMS-NW-9691 4-bromobiphenyl C12H9Br (Mass of molecular ion: 232)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 1.0 50.0 2.5 51.0 3.5 62.0 1.5 63.0 8.4 63.5 1.4 74.0 2.4 75.0 5.4 75.5 4.4 76.0 24.2 76.5 10.1 77.0 4.4 101.0 1.7 102.0 1.8 116.0 4.5 117.0 4.4 126.0 3.7 127.0 4.3 150.0 4.4 151.0 15.3 152.0 62.7 153.0 27.6 154.0 4.9 232.0 100.0 233.0 13.3 234.0 97.6 235.0 12.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H9 Br 0.031 g : 0.5 ml CDCl3 4-bromobiphenyl 
Assign. Shift(ppm)
A 7.55 B 7.54 C 7.44 D 7.43 E 7.357
Hz ppm Int.3026.12 7.572 37 3023.93 7.567 109 3021.48 7.561 679 3019.41 7.556 307 3018.19 7.553 362 3016.72 7.549 502 3014.89 7.544 393 3012.82 7.539 886 3010.38 7.533 358 3009.77 7.532 544 3009.16 7.530 431 3008.42 7.528 448 3006.35 7.523 100 2982.91 7.464 49 2980.47 7.458 172 2978.15 7.452 987 2976.68 7.449 402 2975.95 7.447 340 2974.85 7.444 174 2971.44 7.436 343 2969.48 7.431 1000 2968.02 7.427 317 2966.92 7.424 145 2963.38 7.415 178 2961.91 7.412 299 2961.30 7.410 241 2959.72 7.406 72 2947.39 7.375 142 2946.04 7.372 253 2944.70 7.369 143 2940.92 7.359 102 2938.72 7.354 240 2936.40 7.348 81 2932.74 7.339 65 2931.40 7.335 98 2930.18 7.332 55
in CDCl3
KBr disc
nujol mull
