| SpectraBase Spectrum ID |
5XqFh7Bff6W |
| Name |
2-Bromobenzoic acid butyl ester |
| 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 |
256.009892657 u |
| Formula |
C11H13BrO2 |
| InChI |
InChI=1S/C11H13BrO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8H2,1H3 |
| InChIKey |
JOONZVBPPQONLH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
257.127 g/mol |
| Nominal Mass |
256 u |
| Quality |
956 |
| Retention Index |
1678 |
| SMILES |
C=1(C(=CC=CC1)Br)C(OCCCC)=O |
| SPLASH |
splash10-0ugr-7950000000-d18470dd171a87b34eae |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Bromobenzoic acid,butyl ester
butyl 2-bromobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005694 |
