| SpectraBase Spectrum ID |
Dk244kgpWgC |
| Name |
4-Bromobenzoic acid,phenyl 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 |
275.978592528 u |
| Formula |
C13H9BrO2 |
| InChI |
InChI=1S/C13H9BrO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9H |
| InChIKey |
GKOPHSXEQSIHQE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
277.117 g/mol |
| Nominal Mass |
276 u |
| Quality |
995 |
| Retention Index |
1910 |
| SMILES |
C1(C(OC=2C=CC=CC2)=O)=CC=C(C=C1)Br |
| SPLASH |
splash10-0540-4900000000-4d69d23fe8d942e70678 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenyl-4-bromobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024859 |
