1,4-Di-tert-butylbenzene(1012-72-2) IR1
Product Name1,4-Di-tert-butylbenzene
CAS1012-72-2
Molecular FormulaC14H22
Molecular Weight190.32
InChIInChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
InChIKey OOWNNCMFKFBNOF-UHFFFAOYSA-N
SmilesC1(C(C)(C)C)=CC=C(C(C)(C)C)C=C1
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MassMS-IW-0080 p-di-tert-butylbenzene C14H22 (Mass of molecular ion: 190)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
29.0 1.4 39.0 1.4 41.0 5.0 57.0 14.9 64.0 1.4 65.0 3.3 66.0 1.7 77.0 1.6 79.0 1.5 79.5 1.1 80.0 2.6 91.0 4.6 105.0 2.2 115.0 2.2 117.0 3.6 119.0 1.9 128.0 1.4 129.0 1.2 131.0 1.8 133.0 1.4 145.0 6.3 147.0 2.1 159.0 2.2 160.0 11.2 161.0 1.6 175.0 100.0 176.0 14.2 190.0 14.0 191.0 2.2
parameter in CDCl3
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1H NMR 300 MHz C14 H22 0.049 g : 0.5 ml CDCl3 p-di-tert-butylbenzene 
Parameter ppm Hz
D(A) 7.320 D(B) 1.311
Hz ppm Int.2196.00 7.320 222 393.29 1.311 1000
in CDCl3
KBr disc
nujol mull
