| SpectraBase Spectrum ID |
C7ZQ09tlSzP |
| Name |
4-Bromo-2-fluoro-6-hydroxybenzoic acid, o-acetyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.958999897 u |
| Formula |
C10H8BrFO4 |
| InChI |
InChI=1S/C10H8BrFO4/c1-5(13)16-8-4-6(11)3-7(12)9(8)10(14)15-2/h3-4H,1-2H3 |
| InChIKey |
UANNDHGTXQQWMD-UHFFFAOYSA-N |
| Molecular Weight |
291.072 g/mol |
| SMILES |
C1(F)=C(C(=CC(=C1)Br)OC(C)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971466 |
