| SpectraBase Spectrum ID |
8l59KfswR96 |
| Name |
Terephthalic acid, pentyl 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 |
318.107893512 u |
| Formula |
C15H17F3O4 |
| InChI |
InChI=1S/C15H17F3O4/c1-2-3-4-9-21-13(19)11-5-7-12(8-6-11)14(20)22-10-15(16,17)18/h5-8H,2-4,9-10H2,1H3 |
| InChIKey |
UQHZIHSHGMHNKB-UHFFFAOYSA-N |
| Molecular Weight |
318.292 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCC(F)(F)F)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823642 |
