SpectraBase Spectrum ID |
JHfPALmyqFE |
Name |
4-Chlorobenzyl chloride |
CAS Registry Number |
104-83-6 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
159.984655593 u |
Formula |
C7H6Cl2 |
InChI |
InChI=1S/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2 |
InChIKey |
JQZAEUFPPSRDOP-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
161.031 g/mol |
Nominal Mass |
160 u |
Quality |
939 |
Retention Index |
1166 |
SMILES |
C1(=CC=C(C=C1)Cl)CCl |
SPLASH |
splash10-004i-3900000000-9bedf2388be8fb0a77c9 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Benzene,1-chloro-4-(chloromethyl)
p-Chlorobenzyl chloride
1-Chloro-4-(chloromethyl)benzene |
Technique |
GC/MS |
Wiley ID |
DD2024_020505 |