For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Terephthalic acid, ethyl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, ethyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID 9i5NoDQq7yH
InChI InChI=1S/C18H13F5O4/c1-3-26-17(24)9-4-6-10(7-5-9)18(25)27-8(2)11-12(19)14(21)16(23)15(22)13(11)20/h4-8H,3H2,1-2H3
InChIKey BMUJBIPMMKCLFL-UHFFFAOYSA-N
Mol Weight 388.29 g/mol
Molecular Formula C18H13F5O4
Exact Mass 388.0734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9tb8BHAHRWX
Name Terephthalic acid, ethyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.073399710 u
Formula C18H13F5O4
InChI InChI=1S/C18H13F5O4/c1-3-26-17(24)9-4-6-10(7-5-9)18(25)27-8(2)11-12(19)14(21)16(23)15(22)13(11)20/h4-8H,3H2,1-2H3
InChIKey BMUJBIPMMKCLFL-UHFFFAOYSA-N
Molecular Weight 388.290 g/mol
SMILES C1(=CC=C(C=C1)C(OCC)=O)C(=O)OC(C1=C(C(=C(C(=C1F)F)F)F)F)C