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

*Links on SpectraBase are not permalinks.

Isophthalic acid, pentafluorobenzyl propyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pentafluorobenzyl propyl ester
SpectraBase Compound ID 4dwAgalqDSO
InChI InChI=1S/C18H13F5O4/c1-2-6-26-17(24)9-4-3-5-10(7-9)18(25)27-8-11-12(19)14(21)16(23)15(22)13(11)20/h3-5,7H,2,6,8H2,1H3
InChIKey PULGSEYGQJVUDH-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 L1jb41BRCdE
Name Isophthalic acid, pentafluorobenzyl propyl 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/c1-2-6-26-17(24)9-4-3-5-10(7-9)18(25)27-8-11-12(19)14(21)16(23)15(22)13(11)20/h3-5,7H,2,6,8H2,1H3
InChIKey PULGSEYGQJVUDH-UHFFFAOYSA-N
Molecular Weight 388.290 g/mol
SMILES CCCOC(C1=CC=CC(C(OCC=2C(=C(C(=C(F)C2F)F)F)F)=O)=C1)=O