| SpectraBase Spectrum ID |
4AkXKUNgEO4 |
| Name |
Benzoic acid, 3-bromo-, 4-acetylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.989157211 u |
| Formula |
C15H11BrO3 |
| InChI |
InChI=1S/C15H11BrO3/c1-10(17)11-5-7-14(8-6-11)19-15(18)12-3-2-4-13(16)9-12/h2-9H,1H3 |
| InChIKey |
OKXIXQUCHJSABM-UHFFFAOYSA-N |
| Molecular Weight |
319.154 g/mol |
| SMILES |
C(C1=CC(Br)=CC=C1)(OC1=CC=C(C(=O)C)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801446 |
