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Terephthalic acid, 3,5-difluorophenyl octyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,5-difluorophenyl octyl ester
SpectraBase Compound ID 9v05hzsAPW
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-6-7-12-27-21(25)16-8-10-17(11-9-16)22(26)28-20-14-18(23)13-19(24)15-20/h8-11,13-15H,2-7,12H2,1H3
InChIKey BQCAACXYCNKTKV-UHFFFAOYSA-N
Mol Weight 390.43 g/mol
Molecular Formula C22H24F2O4
Exact Mass 390.164266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHms9vnQOXq
Name Terephthalic acid, 3,5-difluorophenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.164265575 u
Formula C22H24F2O4
InChI InChI=1S/C22H24F2O4/c1-2-3-4-5-6-7-12-27-21(25)16-8-10-17(11-9-16)22(26)28-20-14-18(23)13-19(24)15-20/h8-11,13-15H,2-7,12H2,1H3
InChIKey BQCAACXYCNKTKV-UHFFFAOYSA-N
Molecular Weight 390.427 g/mol
SMILES CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC(=CC(=C1)F)F