4-tert-Butylbenzaldehyde (939-97-9) MS
Product Name4-tert-Butylbenzaldehyde
CAS939-97-9
Molecular FormulaC11H14O
Molecular Weight162.23
InChIInChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKey OTXINXDGSUFPNU-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(C(C)(C)C)C=C1
-
MassMS-IW-8147 p-tert-butylbenzaldehyde C11H14O (Mass of molecular ion: 162)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.1 29.0 1.3 39.0 3.7 41.0 10.1 50.0 1.5 51.0 4.1 57.0 1.4 58.0 1.2 63.0 1.6 65.0 2.6 72.0 1.1 75.0 1.2 76.0 1.0 77.0 6.4 78.0 1.5 79.0 5.5 89.0 1.2 91.0 29.7 92.0 2.4 102.0 1.1 103.0 2.9 104.0 1.0 105.0 1.7 115.0 4.7 116.0 1.2 117.0 2.5 118.0 2.0 119.0 24.9 120.0 2.3 131.0 1.2 135.0 1.6 145.0 1.4 147.0 100.0 148.0 11.3 161.0 1.1 162.0 23.2 163.0 7.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C11 H14 O 0.05 ml : 0.5 ml CDCl3 p-tert-butylbenzaldehyde 
Assign. Shift(ppm)
A 9.975 B 7.816 C 7.547 D 1.347
Hz ppm Int.3986.82 9.976 200 3130.19 7.833 32 3128.36 7.828 162 3126.22 7.823 60 3121.64 7.811 70 3119.66 7.806 185 3117.68 7.802 35 3022.00 7.562 33 3020.17 7.558 161 3018.49 7.553 54 3013.46 7.541 53 3011.93 7.537 136 3009.95 7.532 25 538.33 1.348 1000 527.34 1.320 24
in CDCl3
