| SpectraBase Spectrum ID |
8FluWPP6rj6 |
| Name |
2-Bromo-1-phenylethanone |
| CAS Registry Number |
70-11-1 |
| Classification |
Lacrimator |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
197.968027844 u |
| Formula |
C8H7BrO |
| InChI |
InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey |
LIGACIXOYTUXAW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
199.047 g/mol |
| Nominal Mass |
198 u |
| Quality |
982 |
| Retention Index |
1269 |
| SMILES |
C=1(C(CBr)=O)C=CC=CC1 |
| SPLASH |
splash10-0a4i-9500000000-6ab9cbb36127953663f7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Bromoacetophenone
Bromoacetophenone
Phenacyl bromide
2-bromo-1-phenyl-ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032444 |
