4-BROMOMETHYLBIPHENYL(2567-29-5) 1H NMR
Product Name4-BROMOMETHYLBIPHENYL
CAS2567-29-5
Molecular FormulaC13H11Br
Molecular Weight247.13
InChIInChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey HZQLUIZFUXNFHK-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(CBr)C=C1
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MassMS-IW-9338 4-(bromomethyl)biphenyl C13H11Br (Mass of molecular ion: 246)
Source Temperature: 140 °C Sample Temperature: 90 °C Direct, 75 eV
39.0 1.7 50.0 1.0 51.0 1.5 57.5 1.7 63.0 2.4 69.5 2.6 70.5 2.5 76.0 1.9 81.5 1.2 82.0 5.4 82.5 7.2 83.0 4.9 83.5 11.3 84.0 1.6 89.0 1.5 115.0 2.6 128.0 1.6 139.0 2.4 152.0 6.3 163.0 1.8 164.0 2.2 165.0 17.9 166.0 5.0 167.0 100.0 168.0 15.1 169.0 1.1 246.0 5.6 248.0 5.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H11 Br 0.039 g : 0.5 ml CDCl3 4-(bromomethyl)biphenyl 
Assign. Shift(ppm)
A 7.57 B 7.554 C 7.448 D 7.430 E 7.350 F 4.529
Hz ppm Int.3029.91 7.582 262 3028.56 7.579 356 3026.49 7.573 131 3023.68 7.566 432 3021.48 7.561 469 3020.87 7.559 335 3020.26 7.558 350 3017.33 7.550 182 3015.38 7.546 517 3013.43 7.541 99 2982.30 7.463 103 2980.35 7.458 498 2978.52 7.453 211 2977.78 7.451 212 2976.81 7.449 239 2974.98 7.444 122 2973.88 7.442 156 2971.92 7.437 374 2969.60 7.431 446 2968.14 7.427 211 2963.38 7.415 118 2961.91 7.412 222 2959.84 7.407 46 2944.34 7.368 98 2942.99 7.364 180 2941.65 7.361 103 2937.74 7.351 73 2935.55 7.346 186 2933.47 7.341 57 2929.57 7.331 45 2928.34 7.328 76 2927.00 7.324 41 1810.06 4.530 1000
in CDCl3
KBr disc
nujol mull
