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Phthalic acid, decyl 2,5-difluorobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,5-difluorobenzyl ester
SpectraBase Compound ID 9J0VxjlGCfu
InChI InChI=1S/C25H30F2O4/c1-2-3-4-5-6-7-8-11-16-30-24(28)21-12-9-10-13-22(21)25(29)31-18-19-17-20(26)14-15-23(19)27/h9-10,12-15,17H,2-8,11,16,18H2,1H3
InChIKey UFOAIKLYUOYMBH-UHFFFAOYSA-N
Mol Weight 432.51 g/mol
Molecular Formula C25H30F2O4
Exact Mass 432.211216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uy0QdYrbN0
Name Phthalic acid, decyl 2,5-difluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.211215768 u
Formula C25H30F2O4
InChI InChI=1S/C25H30F2O4/c1-2-3-4-5-6-7-8-11-16-30-24(28)21-12-9-10-13-22(21)25(29)31-18-19-17-20(26)14-15-23(19)27/h9-10,12-15,17H,2-8,11,16,18H2,1H3
InChIKey UFOAIKLYUOYMBH-UHFFFAOYSA-N
Molecular Weight 432.508 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCCC)=O