| SpectraBase Spectrum ID |
AHvIJf9Fxax |
| Name |
2,6-Difluoro-3-methylbenzoic acid, pentafluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.017776540 u |
| Formula |
C14H5F7O2 |
| InChI |
InChI=1S/C14H5F7O2/c1-4-2-3-5(15)6(7(4)16)14(22)23-13-11(20)9(18)8(17)10(19)12(13)21/h2-3H,1H3 |
| InChIKey |
HOSPVFBHFXFKMP-UHFFFAOYSA-N |
| Molecular Weight |
338.181 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)OC(C1=C(C(=CC=C1F)C)F)=O)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861547 |
