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Diethylmalonic acid, 3-ethylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-ethylphenyl tetradecyl ester
SpectraBase Compound ID DtHJxgQMciV
InChI InChI=1S/C29H48O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)29(7-3,8-4)28(31)33-26-22-20-21-25(6-2)24-26/h20-22,24H,5-19,23H2,1-4H3
InChIKey FTIVVZCNLQSUQP-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tb4qhZFkEe
Name Diethylmalonic acid, 3-ethylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)29(7-3,8-4)28(31)33-26-22-20-21-25(6-2)24-26/h20-22,24H,5-19,23H2,1-4H3
InChIKey FTIVVZCNLQSUQP-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES CCC1=CC=CC(=C1)OC(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)=O