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Phthalic acid, 2-fluorobenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorobenzyl tetradecyl ester
SpectraBase Compound ID E4zOFgKedhq
InChI InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-33-28(31)25-19-14-15-20-26(25)29(32)34-23-24-18-13-16-21-27(24)30/h13-16,18-21H,2-12,17,22-23H2,1H3
InChIKey RAWMQOULOYCWJY-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C29H39FO4
Exact Mass 470.283238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3I8JfQ0DJ2y
Name Phthalic acid, 2-fluorobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.283237895 u
Formula C29H39FO4
InChI InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-33-28(31)25-19-14-15-20-26(25)29(32)34-23-24-18-13-16-21-27(24)30/h13-16,18-21H,2-12,17,22-23H2,1H3
InChIKey RAWMQOULOYCWJY-UHFFFAOYSA-N
Molecular Weight 470.625 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCC)=O)C(OCC1=CC=CC=C1F)=O