| SpectraBase Spectrum ID |
JJf1sqKbiRk |
| Name |
2-Bromo-3'-methoxyacetophenone |
| CAS Registry Number |
5000-65-7 |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
227.978592528 u |
| Formula |
C9H9BrO2 |
| InChI |
InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3 |
| InChIKey |
IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
229.073 g/mol |
| Nominal Mass |
228 u |
| Quality |
999 |
| Retention Index |
1611 |
| SMILES |
C=1(C=C(C=CC1)OC)C(CBr)=O |
| SPLASH |
splash10-000i-4910000000-7e3b8e21487a9d7c3fa9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Bromo-1-(3-methoxyphenyl)ethanone
3-Methoxyphenacylbromide
2-bromo-1-(3-methoxyphenyl)ethan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024329 |
