| SpectraBase Spectrum ID |
5VHMHKB3dT6 |
| Name |
3-Bromostyrene |
| CAS Registry Number |
2039-86-3 |
| Classification |
Designer drug side product |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.973113225 u |
| Formula |
C8H7Br |
| InChI |
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2 |
| InChIKey |
KQJQPCJDKBKSLV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
183.048 g/mol |
| Nominal Mass |
182 u |
| Quality |
973 |
| Retention Index |
1055 |
| SMILES |
C=1(C=C(C=CC1)Br)C=C |
| SPLASH |
splash10-0ue9-8900000000-bfe6bdd389c7537ccb8b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-bromo-3-ethenylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007131 |
