| SpectraBase Spectrum ID |
2JCRQLzSTtQ |
| Name |
4-Bromo-2-fluoro-6-hydroxybenzoic acid, o-trifluoroacetyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.930734289 u |
| Formula |
C10H5BrF4O4 |
| InChI |
InChI=1S/C10H5BrF4O4/c1-18-8(16)7-5(12)2-4(11)3-6(7)19-9(17)10(13,14)15/h2-3H,1H3 |
| InChIKey |
KDRWIORRAFDCNG-UHFFFAOYSA-N |
| Molecular Weight |
345.044 g/mol |
| SMILES |
C1(F)=C(C(=CC(=C1)Br)OC(C(F)(F)F)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834896 |
