| SpectraBase Spectrum ID |
5Yun20jBNk8 |
| Name |
Benzoic acid,4-bromo-,ethyl ester |
| CAS Registry Number |
5798-75-4 |
| 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)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
| InChIKey |
XZIAFENWXIQIKR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
229.073 g/mol |
| Nominal Mass |
228 u |
| Quality |
919 |
| Retention Index |
1478 |
| SMILES |
C=1(C(OCC)=O)C=CC(=CC1)Br |
| SPLASH |
splash10-0kd0-2930000000-908361d42e836633fd1e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 4-bromobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025612 |
