| SpectraBase Spectrum ID |
8HLGYTplGLI |
| Name |
Benzyl chloride |
| CAS Registry Number |
100-44-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
126.023627925 u |
| Formula |
C7H7Cl |
| InChI |
InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey |
KCXMKQUNVWSEMD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
126.586 g/mol |
| Nominal Mass |
126 u |
| Quality |
908 |
| Retention Index |
1009 |
| SMILES |
C1(=CC=CC=C1)CCl |
| SPLASH |
splash10-0006-9200000000-a600fc0d32b6785b6791 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(chloromethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005942 |
