4-Chlorobenzyl chloride(104-83-6) 13C NMR
Product Name4-Chlorobenzyl chloride
CAS104-83-6
Molecular FormulaC7H6Cl2
Molecular Weight161.03
InChIInChI=1S/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey JQZAEUFPPSRDOP-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(CCl)C=C1
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MassMS-NW-4806 alpha,4-dichlorotoluene C7H6Cl2 (Mass of molecular ion: 160)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
36.0 1.1 37.0 1.0 38.0 1.6 39.0 4.3 43.0 1.6 44.0 3.4 44.5 1.4 50.0 2.7 51.0 2.4 61.0 1.5 62.0 6.1 63.0 7.9 64.0 1.5 73.0 2.4 75.0 1.5 89.0 13.8 90.0 4.6 99.0 4.4 101.0 1.4 123.0 1.0 125.0 100.0 126.0 7.9 127.0 31.6 128.0 2.6 159.0 1.7 160.0 19.3 161.0 2.7 162.0 12.5 163.0 1.1 164.0 2.1
parameter in CDCl3
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1H NMR 300 MHz C7 H6 Cl2 0.040 g : 0.5 ml CDCl3 alpha,4-dichlorotoluene 
Parameter ppm Hz
D(A) 7.316 D(B) 4.539
Hz ppm Int.2194.81 7.316 1000 1361.69 4.539 500
in CDCl3
KBr disc
liquid film
4880 A,150M,powder
