4-TERT-BUTYLBIPHENYL(1625-92-9) IR2
Product Name4-TERT-BUTYLBIPHENYL
CAS1625-92-9
Molecular FormulaC16H18
Molecular Weight210.31
InChIInChI=1S/C16H18/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey CDOYZTOFTGTGBC-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(C(C)(C)C)C=C1
-
MassMS-IW-8676 4-tert-butylbiphenyl C16H18 (Mass of molecular ion: 210)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 1.4 41.0 5.2 51.0 1.3 63.0 1.0 70.5 1.0 76.0 3.1 77.0 3.2 82.0 1.9 82.5 3.3 83.0 2.8 83.5 10.9 84.0 1.7 88.0 1.1 89.0 2.9 91.0 1.9 97.5 3.4 115.0 2.5 127.0 1.0 128.0 1.2 151.0 1.8 152.0 6.3 153.0 3.3 154.0 3.4 155.0 10.0 156.0 1.3 165.0 6.3 166.0 2.7 167.0 20.3 168.0 2.8 176.0 1.0 177.0 1.0 178.0 6.5 179.0 3.9 180.0 2.9 193.0 1.3 194.0 1.1 195.0 100.0 196.0 16.4 197.0 1.3 210.0 31.8 211.0 5.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C16 H18 0.039 g : 0.5 ml CDCl3 4-tert-butylbiphenyl 
Assign. Shift(ppm)
A 7.581 B 7.532 C 7.461 D 7.412 E 7.311 F 1.356
Hz ppm Int.3035.03 7.595 63 3033.69 7.591 76 3027.71 7.576 44 3026.61 7.574 86 3025.51 7.571 75 3015.38 7.546 86 3013.31 7.540 34 3008.91 7.529 45 3006.71 7.524 145 2985.23 7.470 143 2983.03 7.465 41 2978.64 7.454 34 2976.56 7.448 82 2969.97 7.432 34 2969.36 7.430 48 2962.04 7.412 91 2960.69 7.409 42 2954.22 7.393 54 2927.86 7.327 38 2920.53 7.308 44 541.87 1.356 1000
in CDCl3
KBr disc
nujol mull
