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

*Links on SpectraBase are not permalinks.

Terephthalic acid, di(2,5-difluorobenzyl) ester

View entire compound with spectra: 1 NMR

Terephthalic acid, di(2,5-difluorobenzyl) ester
SpectraBase Compound ID 30jDPKtsu1i
InChI InChI=1S/C22H14F4O4/c23-17-5-7-19(25)15(9-17)11-29-21(27)13-1-2-14(4-3-13)22(28)30-12-16-10-18(24)6-8-20(16)26/h1-10H,11-12H2
InChIKey KOEHVNBWMNTUOF-UHFFFAOYSA-N
Mol Weight 418.34 g/mol
Molecular Formula C22H14F4O4
Exact Mass 418.082822 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 1kM7hl994FP
Name Terephthalic acid, di(2,5-difluorobenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.082821579 u
Formula C22H14F4O4
InChI InChI=1S/C22H14F4O4/c23-17-5-7-19(25)15(9-17)11-29-21(27)13-1-2-14(4-3-13)22(28)30-12-16-10-18(24)6-8-20(16)26/h1-10H,11-12H2
InChIKey KOEHVNBWMNTUOF-UHFFFAOYSA-N
Molecular Weight 418.344 g/mol
SMILES C1(=CC=C(C=C1)C(OCC1=C(C=CC(=C1)F)F)=O)C(=O)OCC1=C(C=CC(=C1)F)F