3-Bromobiphenyl(2113-57-7) IR1
Product Name3-Bromobiphenyl
CAS2113-57-7
Molecular FormulaC12H9Br
Molecular Weight233.1
InChIInChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey USYQKCQEVBFJRP-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC(Br)=C1
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MassMS-KW-0274 3-bromobiphenyl C12H9Br (Mass of molecular ion: 232)
Source Temperature: 250 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 2.7 50.0 5.8 51.0 7.4 52.0 1.4 61.0 1.0 62.0 3.2 63.0 12.9 63.5 1.9 74.0 5.2 75.0 9.0 75.5 6.8 76.0 37.6 76.5 15.8 77.0 7.4 86.0 1.6 87.0 2.1 98.0 1.9 99.0 1.6 100.0 1.0 101.0 2.7 102.0 3.0 103.0 1.0 113.0 1.0 114.0 1.0 115.0 1.0 116.0 4.7 117.0 4.5 125.0 1.5 126.0 6.2 127.0 6.6 150.0 6.0 151.0 20.2 152.0 75.1 153.0 39.5 154.0 5.5 232.0 100.0 233.0 13.4 234.0 97.7 235.0 12.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C12H9Br 0.05 ml : 0.5 ml CDCl3 3-bromobiphenyl 
Assign. Shift(ppm)
A 7.696 B 7.487 C *1 7.44 D *1 7.42 E 7.385 F 7.320 G 7.228
Hz ppm Int.3078.86 7.702 410 3077.15 7.698 769 3075.44 7.693 465 3075.20 7.693 448 2999.39 7.503 521 2997.93 7.499 777 2995.85 7.494 248 2992.31 7.485 371 2991.95 7.484 370 2990.97 7.482 817 2990.48 7.481 702 2989.63 7.479 820 2987.55 7.473 155 2980.84 7.457 300 2979.74 7.454 372 2979.13 7.452 328 2978.03 7.450 350 2974.98 7.442 68 2973.15 7.437 338 2971.93 7.434 583 2971.44 7.433 497 2970.34 7.430 557 2969.85 7.429 456 2968.76 7.426 348 2963.75 7.414 431 2962.77 7.411 376 2961.80 7.409 507 2960.82 7.407 610 2959.60 7.404 584 2957.89 7.399 231 2954.72 7.391 199 2954.11 7.390 210 2953.25 7.388 544 2952.52 7.386 1000 2950.93 7.382 543 2946.42 7.371 303 2944.95 7.367 531 2944.34 7.365 489 2942.75 7.361 134 2933.35 7.338 263 2931.89 7.334 482 2930.55 7.331 288 2927.01 7.322 183 2924.57 7.316 464 2922.25 7.310 135 2918.71 7.301 114 2917.36 7.298 186 2916.14 7.295 105 2896.86 7.247 475 2896.49 7.246 483 2888.80 7.226 764 2881.11 7.207 339 2880.86 7.207 335
in CDCl3
Liquid film
