4-Bromo-4'-tert-butylbiphenyl(162258-89-1) 1H NMR
Product Name4-Bromo-4'-tert-butylbiphenyl
CAS162258-89-1
Molecular FormulaC16H17Br
Molecular Weight289.21
InChIInChI=1S/C16H17Br/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-11H,1-3H3
InChIKey QYNWFBYWVPMMRL-UHFFFAOYSA-N
SmilesC1(C2=CC=C(C(C)(C)C)C=C2)=CC=C(Br)C=C1
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MassMS-IW-9743 4-bromo-4'-tert-butylbiphenyl C16H17Br (Mass of molecular ion: 288)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
29.0 1.9 39.0 3.0 41.0 12.8 50.0 1.1 51.0 2.0 55.0 1.5 57.0 3.8 63.0 2.6 69.5 1.6 70.0 1.1 75.0 2.8 76.0 8.7 76.5 1.4 77.0 2.0 81.0 1.1 81.5 1.8 82.0 12.9 82.5 9.3 83.0 11.4 83.5 1.8 88.0 4.6 88.5 1.1 89.0 5.5 89.5 1.0 90.0 1.2 91.0 1.1 94.5 2.0 95.0 1.3 96.0 1.4 101.0 1.1 102.0 1.3 104.5 1.0 115.0 2.6 116.0 1.1 117.0 1.5 122.5 21.4 123.0 3.2 123.5 20.9 124.0 3.2 126.0 1.5 127.0 1.3 128.0 1.0 136.5 5.7 137.0 1.3 137.5 5.4 138.0 1.3 139.0 1.4 150.0 1.9 151.0 4.3 152.0 10.5 153.0 4.2 154.0 10.5 155.0 1.6 165.0 14.0 166.0 4.1 167.0 1.3 176.0 2.9 177.0 2.5 178.0 12.7 179.0 11.8 180.0 2.3 189.0 1.3 191.0 2.2 192.0 1.9 193.0 3.6 194.0 22.5 195.0 4.6 232.0 1.5 234.0 1.4 245.0 11.1 246.0 1.6 247.0 10.7 248.0 1.6 258.0 1.0 259.0 1.7 260.0 1.0 272.0 1.0 273.0 100.0 274.0 17.5 275.0 98.1 276.0 16.4 277.0 1.3 288.0 42.2 289.0 7.6 290.0 41.0 291.0 7.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H17 Br 0.039 g : 0.5 ml CDCl3 4-bromo-4'-tert-butylbiphenyl 
Assign. Shift(ppm)
A 7.526 B 7.48 C 7.46 D 7.437 E 1.350
Hz ppm Int.3013.31 7.540 98 3011.23 7.535 36 3006.71 7.524 46 3004.64 7.519 152 2996.95 7.499 46 2996.09 7.497 33 2990.72 7.484 37 2988.28 7.478 169 2986.69 7.474 55 2984.38 7.468 53 2982.91 7.464 161 2980.47 7.458 34 2977.91 7.452 31 2976.68 7.449 38 2975.59 7.446 159 2974.24 7.443 63 2973.39 7.440 51 2968.87 7.429 37 2966.80 7.424 96 539.79 1.351 1000
in CDCl3
KBr disc
nujol mull
