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Phthalic acid, 3,5-difluorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl nonyl ester
SpectraBase Compound ID IleIaJClj8l
InChI InChI=1S/C23H26F2O4/c1-2-3-4-5-6-7-10-13-28-22(26)20-11-8-9-12-21(20)23(27)29-19-15-17(24)14-18(25)16-19/h8-9,11-12,14-16H,2-7,10,13H2,1H3
InChIKey AQWXFMBUEADUQW-UHFFFAOYSA-N
Mol Weight 404.45 g/mol
Molecular Formula C23H26F2O4
Exact Mass 404.179916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDOHtnYW974
Name Phthalic acid, 3,5-difluorophenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.179915639 u
Formula C23H26F2O4
InChI InChI=1S/C23H26F2O4/c1-2-3-4-5-6-7-10-13-28-22(26)20-11-8-9-12-21(20)23(27)29-19-15-17(24)14-18(25)16-19/h8-9,11-12,14-16H,2-7,10,13H2,1H3
InChIKey AQWXFMBUEADUQW-UHFFFAOYSA-N
Molecular Weight 404.454 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(=O)OCCCCCCCCC)=O