| SpectraBase Spectrum ID |
2mxu403iHvU |
| Name |
4-Bromobenzyl chloride |
| CAS Registry Number |
589-17-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
203.934140893 u |
| Formula |
C7H6BrCl |
| InChI |
InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2 |
| InChIKey |
BSIIGUGKOPPTPZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
205.482 g/mol |
| Nominal Mass |
204 u |
| Quality |
941 |
| Retention Index |
1652 |
| SMILES |
C1(=CC=C(C=C1)Br)CCl |
| SPLASH |
splash10-00xr-7920000000-f4949be479fd00172ae7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzene,1-bromo-4-(chloromethyl)
1-Bromo-4-(chloromethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019814 |
