| SpectraBase Spectrum ID |
L2c974xvgD5 |
| Name |
3-Hydroxybenzoic acid, o-pentafluoropropionyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.026449516 u |
| Formula |
C11H7F5O4 |
| InChI |
InChI=1S/C11H7F5O4/c1-19-7-4-2-3-6(5-7)8(17)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3 |
| InChIKey |
NLXSQUPXWAOWQM-UHFFFAOYSA-N |
| Molecular Weight |
298.165 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(OC(C(C(F)(F)F)(F)F)=O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98405 |
