| SpectraBase Spectrum ID |
2I4NedyrkRn |
| Name |
4-Bromo-5-fluoro-2-hydroxy-benzoic acid methyl ester, acetate |
| 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)16-9-4-7(11)8(12)3-6(9)10(14)15-2/h3-4H,1-2H3 |
| InChIKey |
CREPDDGQOVCCPP-UHFFFAOYSA-N |
| Molecular Weight |
291.072 g/mol |
| SMILES |
C(C1=C(C=C(C(=C1)F)Br)OC(C)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946355 |
