1-Bromo-4-tert-butylbenzene(3972-65-4) MS
Product Name1-Bromo-4-tert-butylbenzene
CAS3972-65-4
Molecular FormulaC10H13Br
Molecular Weight213.11
InChIInChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKey XHCAGOVGSDHHNP-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(C(C)(C)C)C=C1
-
MassMS-IW-7587 1-bromo-4-tert-butylbenzene C10H13Br (Mass of molecular ion: 212)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.6 29.0 1.8 39.0 5.5 41.0 20.6 50.0 4.4 51.0 7.8 52.0 1.1 55.0 1.0 57.0 2.8 57.5 3.9 58.0 8.8 58.5 1.4 62.0 1.0 63.0 2.9 64.0 1.5 65.0 2.8 74.0 2.1 75.0 4.2 76.0 3.5 77.0 8.1 78.0 2.8 89.0 2.8 90.0 4.3 91.0 6.0 98.5 1.4 99.5 1.0 101.0 1.7 102.0 7.7 103.0 4.4 104.0 1.0 105.0 1.4 115.0 7.7 116.0 2.9 117.0 12.9 118.0 33.5 119.0 3.6 133.0 1.2 157.0 2.1 159.0 1.6 169.0 21.9 170.0 1.7 171.0 21.6 172.0 1.7 181.0 1.3 183.0 1.4 197.0 100.0 198.0 10.4 199.0 97.7 200.0 9.8 212.0 22.4 213.0 2.5 214.0 21.8 215.0 2.4
400 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H13 Br 0.05 ml : 0.5 ml CDCl3 1-bromo-4-tert-butylbenzene 
Assign. Shift(ppm)
A 7.386 B 7.234 C 1.278
Hz ppm Int.2957.15 7.400 139 2955.08 7.395 52 2950.44 7.383 56 2948.24 7.378 190 2945.68 7.371 29 2897.95 7.252 24 2895.26 7.245 180 2893.19 7.240 59 2888.55 7.228 49 2886.47 7.223 143 510.86 1.279 1000
in CDCl3
liquid film
