| SpectraBase Spectrum ID |
GXZcFmzX8xE |
| Name |
3-Bromo-benzoic acid ethyl ester |
| CAS Registry Number |
24398-88-7 |
| Classification |
Chemical |
| 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 |
227.978592528 u |
| Formula |
C9H9BrO2 |
| InChI |
InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3 |
| InChIKey |
QAUASTLEZAPQTB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
229.073 g/mol |
| Nominal Mass |
228 u |
| Quality |
974 |
| Retention Index |
1295 |
| SMILES |
C=1(C(OCC)=O)C=C(C=CC1)Br |
| SPLASH |
splash10-0zj0-7930000000-9c45f96221835a8bbd7b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 3-bromobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007212 |
