| SpectraBase Spectrum ID |
JISztCBS0A4 |
| Name |
3-Iodobenzyl bromide |
| CAS Registry Number |
49617-83-6 |
| 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 |
295.869758193 u |
| Formula |
C7H6BrI |
| InChI |
InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
| InChIKey |
BACZSVQZBSCWIG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
296.933 g/mol |
| Nominal Mass |
296 u |
| Quality |
993 |
| Retention Index |
1452 |
| SMILES |
C=1(C=C(C=CC1)I)CBr |
| SPLASH |
splash10-014i-4090000000-e5d60d9c5c4e746c7c29 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
m-Iodobenzyl bromide
1-(bromomethyl)-3-iodobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_020792 |
