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

*Links on SpectraBase are not permalinks.

Phthalic acid, 3,5-difluorophenyl 3,5-dimethylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl 3,5-dimethylphenyl ester
SpectraBase Compound ID EaGCP1vfKM9
InChI InChI=1S/C22H16F2O4/c1-13-7-14(2)9-17(8-13)27-21(25)19-5-3-4-6-20(19)22(26)28-18-11-15(23)10-16(24)12-18/h3-12H,1-2H3
InChIKey SOVUXCJTWGTHJG-UHFFFAOYSA-N
Mol Weight 382.36 g/mol
Molecular Formula C22H16F2O4
Exact Mass 382.101665 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 7tVEuLlNoln
Name Phthalic acid, 3,5-difluorophenyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.101665317 u
Formula C22H16F2O4
InChI InChI=1S/C22H16F2O4/c1-13-7-14(2)9-17(8-13)27-21(25)19-5-3-4-6-20(19)22(26)28-18-11-15(23)10-16(24)12-18/h3-12H,1-2H3
InChIKey SOVUXCJTWGTHJG-UHFFFAOYSA-N
Molecular Weight 382.363 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(C)=CC(C)=C1)=O)C(OC1=CC(=CC(=C1)F)F)=O