| SpectraBase Spectrum ID |
5pJVcTtwSCT |
| Name |
4-Bromobenzoic acid pentyl 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 |
270.025542721 u |
| Formula |
C12H15BrO2 |
| InChI |
InChI=1S/C12H15BrO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3 |
| InChIKey |
WLRZPFRMFLGSMD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
271.154 g/mol |
| Nominal Mass |
270 u |
| Quality |
852 |
| Retention Index |
1609 |
| SMILES |
C=1(C(OCCCCC)=O)C=CC(=CC1)Br |
| SPLASH |
splash10-0uml-9540000000-500165df7eebdb5cc816 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
pentyl 4-bromobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007211 |
