| SpectraBase Spectrum ID |
IXSYR9S6ATY |
| Name |
3-Methoxy-2,4,5-trifluorobenzoic acid, pentafluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.003269290 u |
| Formula |
C14H4F8O3 |
| InChI |
InChI=1S/C14H4F8O3/c1-24-12-5(16)3(2-4(15)6(12)17)14(23)25-13-10(21)8(19)7(18)9(20)11(13)22/h2H,1H3 |
| InChIKey |
CBCCZOBRSVJIKZ-UHFFFAOYSA-N |
| Molecular Weight |
372.170 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)OC(C1=C(C(=C(F)C(=C1)F)OC)F)=O)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877215 |
