| SpectraBase Spectrum ID |
JI4z4n8Y5Cq |
| Name |
2-Bromo-4'-methoxyacetophenone |
| CAS Registry Number |
2632-13-5 |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
227.978592528 u |
| Formula |
C9H9BrO2 |
| InChI |
InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3 |
| InChIKey |
XQJAHBHCLXUGEP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
229.073 g/mol |
| Nominal Mass |
228 u |
| Quality |
1000 |
| Retention Index |
1660 |
| SMILES |
C=1(C(CBr)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-000i-3900000000-21228a49965e1f586ce9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethanone,2-bromo-1-(4-methoxyphenyl)-
2-Bromo-1-(4-methoxyphenyl)ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024331 |
