SpectraBase Spectrum ID |
JGXB39npudM |
Name |
Phenethyl chloride |
CAS Registry Number |
622-24-2 |
Classification |
Designer drug precursor |
Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
140.039277990 u |
Formula |
C8H9Cl |
InChI |
InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChIKey |
MNNZINNZIQVULG-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
140.613 g/mol |
Nominal Mass |
140 u |
Quality |
939 |
Retention Index |
1083 |
SMILES |
C1(=CC=CC=C1)CCCl |
SPLASH |
splash10-0006-9100000000-3ac079b917b578755e9f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-Chloroethylbenzene
(2-chloroethyl)benzene |
Technique |
GC/MS |
Wiley ID |
DD2024_032421 |