| SpectraBase Spectrum ID |
8imGHOeFKV1 |
| Name |
Terephthalic acid, ethyl 2,2,2-trifluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.060943319 u |
| Formula |
C12H11F3O4 |
| InChI |
InChI=1S/C12H11F3O4/c1-2-18-10(16)8-3-5-9(6-4-8)11(17)19-7-12(13,14)15/h3-6H,2,7H2,1H3 |
| InChIKey |
XWBHWGYGXXCNBS-UHFFFAOYSA-N |
| Molecular Weight |
276.211 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874051 |
