4-tert-Butylbenzyl bromide(18880-00-7) MS
Product Name4-tert-Butylbenzyl bromide
CAS18880-00-7
Molecular FormulaC11H15Br
Molecular Weight227.14
InChIInChI=1S/C11H15Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKey QZNQSIHCDAGZIA-UHFFFAOYSA-N
SmilesC1(CBr)=CC=C(C(C)(C)C)C=C1
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MassMS-NW-7771 4-tert-butylbenzyl bromide C11H15Br (Mass of molecular ion: 226)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.1 29.0 2.6 38.0 1.0 39.0 7.2 40.0 1.0 41.0 6.6 50.0 1.8 51.0 4.7 52.0 1.4 53.0 1.9 55.0 2.4 57.0 1.4 57.5 1.0 62.0 1.4 63.0 4.3 64.0 4.0 65.0 6.0 66.0 1.3 77.0 3.4 78.0 2.0 79.0 1.0 89.0 3.6 90.0 1.5 91.0 12.8 92.0 1.3 102.0 1.0 103.0 2.1 104.0 4.7 105.0 7.4 107.0 1.4 115.0 8.6 116.0 3.9 117.0 17.1 118.0 2.1 119.0 5.5 128.0 1.7 129.0 1.6 131.0 9.1 132.0 33.5 133.0 5.3 147.0 100.0 148.0 12.3 167.0 2.1 183.0 1.3 185.0 1.2 211.0 7.6 212.0 1.6 213.0 7.2 225.0 2.0 226.0 3.9 227.0 2.3 228.0 4.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H15 Br 0.05 ml : 0.5 ml CDCl3 4-tert-butylbenzyl bromide 
Assign. Shift(ppm)
A 7.42 B 7.22 C 4.452 D 1.295
Hz ppm Int.655.75 7.322 285 398.81 4.453 210 116.06 1.296 1000 114.13 1.275 77
in CDCl3
liquid film
4880 A,200 M,liquid
