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Diethylmalonic acid, 2-ethylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-ethylphenyl tridecyl ester
SpectraBase Compound ID HuY439RLoDK
InChI InChI=1S/C28H46O4/c1-5-9-10-11-12-13-14-15-16-17-20-23-31-26(29)28(7-3,8-4)27(30)32-25-22-19-18-21-24(25)6-2/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKey TWUWECXXYYAHSW-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0TqiSaaRd4
Name Diethylmalonic acid, 2-ethylphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-9-10-11-12-13-14-15-16-17-20-23-31-26(29)28(7-3,8-4)27(30)32-25-22-19-18-21-24(25)6-2/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKey TWUWECXXYYAHSW-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC