| SpectraBase Spectrum ID |
JIpFyBzGajQ |
| Name |
Benzyl bromide |
| CAS Registry Number |
100-39-0 |
| 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 |
169.973113225 u |
| Formula |
C7H7Br |
| InChI |
InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey |
AGEZXYOZHKGVCM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
171.037 g/mol |
| Nominal Mass |
170 u |
| Quality |
993 |
| Retention Index |
1094 |
| SMILES |
C1(=CC=CC=C1)CBr |
| SPLASH |
splash10-0006-9000000000-7805b58617b88e9975f3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
bromomethylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015285 |
