| SpectraBase Spectrum ID |
2mjEZY1HjU0 |
| Name |
3-Bromobenzyl bromide |
| CAS Registry Number |
823-78-9 |
| 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 © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
247.883626193 u |
| Formula |
C7H6Br2 |
| InChI |
InChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
| InChIKey |
ZPCJPJQUVRIILS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
249.933 g/mol |
| Nominal Mass |
248 u |
| Quality |
995 |
| Retention Index |
1344 |
| SMILES |
C=1(C=C(C=CC1)Br)CBr |
| SPLASH |
splash10-00xr-8910000000-7f7695d1385f1fdf8938 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
alpha,3-Dibromotoluene
m-Bromobenzyl bromide
1-bromo-3-(bromomethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022500 |
