4-tert-Butylbenzyl chloride(19692-45-6) 13C NMR
Product Name4-tert-Butylbenzyl chloride
CAS19692-45-6
Molecular FormulaC11H15Cl
Molecular Weight182.69
InChIInChI=1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKey WAXIFMGAKWIFDQ-UHFFFAOYSA-N
SmilesC1(CCl)=CC=C(C(C)(C)C)C=C1
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MassMS-NW-7776 p-tert-butylbenzyl chloride C11H15Cl (Mass of molecular ion: 182)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 27.0 3.7 29.0 3.1 39.0 8.8 41.0 12.1 50.0 2.2 51.0 5.6 52.0 1.5 53.0 2.6 55.0 1.4 57.0 1.5 62.0 1.7 63.0 5.3 64.0 4.6 64.5 1.0 65.0 6.5 66.0 1.6 75.0 1.4 76.0 1.0 77.0 5.3 78.0 2.2 79.0 1.5 89.0 3.9 90.0 1.3 91.0 25.1 92.0 2.6 102.0 1.3 103.0 4.2 104.0 4.0 105.0 4.4 115.0 10.6 116.0 4.9 117.0 12.7 118.0 2.1 119.0 1.5 127.0 1.3 128.0 2.4 129.0 2.1 131.0 22.4 132.0 10.4 133.0 2.8 139.0 18.0 140.0 1.9 141.0 6.0 147.0 11.0 148.0 1.9 149.0 3.8 151.0 1.6 167.0 100.0 168.0 11.5 169.0 32.1 170.0 3.7 182.0 23.5 183.0 2.9 184.0 7.8 185.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H15 Cl 0.05 ml : 0.5 ml CDCl3 p-tert-butylbenzyl chloride 
Assign. Shift(ppm)
A 7.35 B 7.30 C 4.540 D 1.304
Hz ppm Int.657.56 7.343 160 656.81 7.334 121 656.13 7.327 139 406.75 4.542 176 116.81 1.305 1000
in CDCl3
liquid film
4880 A,200 M,liquid
