SpectraBase Spectrum ID |
FDxHa98tsam |
Name |
Terephthalic acid, propyl 1,1,1-trifluoroprop-2-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.092243448 u |
Formula |
C14H15F3O4 |
InChI |
InChI=1S/C14H15F3O4/c1-3-8-20-12(18)10-4-6-11(7-5-10)13(19)21-9(2)14(15,16)17/h4-7,9H,3,8H2,1-2H3 |
InChIKey |
JJHVLUUDGWVXQI-UHFFFAOYSA-N |
Molecular Weight |
304.265 g/mol |
SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(OC(C(F)(F)F)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801338 |