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

*Links on SpectraBase are not permalinks.

Phthalic acid, 3,5-difluorophenyl 4-formylphenyl ester

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

Phthalic acid, 3,5-difluorophenyl 4-formylphenyl ester
SpectraBase Compound ID HgQlBwjdSk8
InChI InChI=1S/C21H12F2O5/c22-14-9-15(23)11-17(10-14)28-21(26)19-4-2-1-3-18(19)20(25)27-16-7-5-13(12-24)6-8-16/h1-12H
InChIKey TXVIGQJMFQYTFA-UHFFFAOYSA-N
Mol Weight 382.32 g/mol
Molecular Formula C21H12F2O5
Exact Mass 382.06528 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 H5lIvy5jJMY
Name Phthalic acid, 3,5-difluorophenyl 4-formylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.065279807 u
Formula C21H12F2O5
InChI InChI=1S/C21H12F2O5/c22-14-9-15(23)11-17(10-14)28-21(26)19-4-2-1-3-18(19)20(25)27-16-7-5-13(12-24)6-8-16/h1-12H
InChIKey TXVIGQJMFQYTFA-UHFFFAOYSA-N
Molecular Weight 382.319 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC1=CC=C(C=O)C=C1)=O