| SpectraBase Spectrum ID |
Iscq2i88YVi |
| Name |
Terephthalic acid, 2,2,3,3,3-pentafluoropropyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.073399710 u |
| Formula |
C14H13F5O4 |
| InChI |
InChI=1S/C14H13F5O4/c1-2-7-22-11(20)9-3-5-10(6-4-9)12(21)23-8-13(15,16)14(17,18)19/h3-6H,2,7-8H2,1H3 |
| InChIKey |
AOMWBJGKIVQCRD-UHFFFAOYSA-N |
| Molecular Weight |
340.246 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(OCC(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88864 |
