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Phthalic acid, 2,5-difluorobenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-difluorobenzyl tetradecyl ester
SpectraBase Compound ID AP3EKTlbnPM
InChI InChI=1S/C29H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-34-28(32)25-16-13-14-17-26(25)29(33)35-22-23-21-24(30)18-19-27(23)31/h13-14,16-19,21H,2-12,15,20,22H2,1H3
InChIKey NSBKTKYUMWKVCL-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C29H38F2O4
Exact Mass 488.273816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1fRo0XKyUs
Name Phthalic acid, 2,5-difluorobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.273816026 u
Formula C29H38F2O4
InChI InChI=1S/C29H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-34-28(32)25-16-13-14-17-26(25)29(33)35-22-23-21-24(30)18-19-27(23)31/h13-14,16-19,21H,2-12,15,20,22H2,1H3
InChIKey NSBKTKYUMWKVCL-UHFFFAOYSA-N
Molecular Weight 488.616 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCCCCCCCCCCC)=O