| SpectraBase Spectrum ID |
JGdmMwKjv04 |
| 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 |
986 |
| Retention Index |
1083 |
| SMILES |
C1(=CC=CC=C1)CCCl |
| SPLASH |
splash10-0006-9100000000-3f8805d31aadb0f925c8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Chloroethylbenzene
(2-chloroethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008358 |
