| SpectraBase Spectrum ID |
HHtqLOkEIm |
| Name |
5-Bromo-4-fluoro-2-hydroxybenzoic acid, o,o'-bis-methyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.964085278 u |
| Formula |
C9H8BrFO3 |
| InChI |
InChI=1S/C9H8BrFO3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,1-2H3 |
| InChIKey |
FCNDTIGRBPWKJB-UHFFFAOYSA-N |
| Molecular Weight |
263.062 g/mol |
| SMILES |
C(C1=C(C=C(C(=C1)Br)F)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937556 |
