| SpectraBase Spectrum ID |
1ODd4burq9U |
| Name |
2-Bromo-4'-methylacetophenone |
| CAS Registry Number |
619-41-0 |
| Classification |
Designer drug precursor |
| 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 |
211.983677909 u |
| Formula |
C9H9BrO |
| InChI |
InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3 |
| InChIKey |
KRVGXFREOJHJAX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
213.074 g/mol |
| Nominal Mass |
212 u |
| Quality |
999 |
| Retention Index |
1482 |
| SMILES |
C=1(C(CBr)=O)C=CC(=CC1)C |
| SPLASH |
splash10-014i-4900000000-7559066341d103b6d59e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethanone,2-bromo-1-(4-methylphenyl)-
4-Methylphenacylbromide
2-Bromo-1-(4-methylphenyl)ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024349 |
