4-BROMO-4'-N-HEPTYLBIPHENYL(58573-93-6) MS
Product Name4-BROMO-4'-N-HEPTYLBIPHENYL
CAS58573-93-6
Molecular FormulaC19H23Br
Molecular Weight331.29
InChIInChI=1S/C19H23Br/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h8-15H,2-7H2,1H3
InChIKey RJQRJLCQHIMUQO-UHFFFAOYSA-N
SmilesC1(C2=CC=C(CCCCCCC)C=C2)=CC=C(Br)C=C1
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MassMS-NW-9385 4-bromo-4'-heptylbiphenyl C19H23Br (Mass of molecular ion: 330)
Source Temperature: 200 °C Sample Temperature: 110 °C Direct, 75 eV
6.0 9.3 18.0 1.7 27.0 2.8 29.0 4.5 39.0 1.9 41.0 5.2 43.0 5.4 55.0 1.9 57.0 3.9 58.0 1.1 70.0 6.8 83.0 1.0 89.0 1.0 114.0 1.6 115.0 2.1 139.0 2.1 151.0 1.7 152.0 5.1 153.0 1.9 163.0 1.8 164.0 2.8 165.0 36.8 166.0 11.5 167.0 7.4 168.0 1.1 178.0 4.6 179.0 2.4 180.0 3.9 191.0 1.0 192.0 1.2 232.0 1.4 234.0 1.4 245.0 100.0 246.0 17.2 247.0 98.7 248.0 16.8 249.0 1.4 258.0 2.3 260.0 2.4 330.0 61.4 331.0 13.0 332.0 60.6 333.0 12.6 334.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H23 Br 0.032 g : 0.5 ml CDCl3 4-bromo-4'-heptylbiphenyl 
Assign. Shift(ppm)
A 7.527 B 7.45 C 7.43 D 7.24 E 2.630 F 1.635 G 1.34 J 1.28 K 0.881
Hz ppm Int.3015.99 7.547 99 3013.55 7.541 596 3011.47 7.536 220 3009.64 7.531 60 3006.96 7.524 286 3004.88 7.519 911 3002.44 7.513 131 2989.75 7.481 39 2985.72 7.471 131 2983.64 7.466 575 2981.81 7.462 225 2977.29 7.450 321 2975.34 7.445 795 2974.12 7.442 1000 2972.05 7.437 289 2967.53 7.426 233 2965.45 7.421 579 2963.01 7.415 79 2897.34 7.250 572 2895.39 7.245 203 2889.04 7.229 464 1058.72 2.650 265 1051.15 2.631 327 1043.21 2.611 273 667.85 1.672 48 660.52 1.653 123 653.20 1.635 175 645.63 1.616 131 640.50 1.603 38 638.06 1.597 51 546.88 1.369 92 537.72 1.346 311 534.06 1.337 359 529.91 1.326 424 522.71 1.308 264 521.12 1.304 241 516.36 1.293 329 513.18 1.285 386 511.35 1.280 370 506.96 1.269 263 500.12 1.252 76 494.75 1.238 37 359.38 0.900 313 352.54 0.883 951 345.58 0.865 340
in CDCl3
KBr disc
nujol mull
