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Diethylmalonic acid, 2-isopropoxyphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-isopropoxyphenyl tridecyl ester
SpectraBase Compound ID FR0QHSzLP0X
InChI InChI=1S/C29H48O5/c1-6-9-10-11-12-13-14-15-16-17-20-23-32-27(30)29(7-2,8-3)28(31)34-26-22-19-18-21-25(26)33-24(4)5/h18-19,21-22,24H,6-17,20,23H2,1-5H3
InChIKey WSCJOSDFYYVLSZ-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C29H48O5
Exact Mass 476.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kKaAoJKZum
Name Diethylmalonic acid, 2-isopropoxyphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.350174641 u
Formula C29H48O5
InChI InChI=1S/C29H48O5/c1-6-9-10-11-12-13-14-15-16-17-20-23-32-27(30)29(7-2,8-3)28(31)34-26-22-19-18-21-25(26)33-24(4)5/h18-19,21-22,24H,6-17,20,23H2,1-5H3
InChIKey WSCJOSDFYYVLSZ-UHFFFAOYSA-N
Molecular Weight 476.698 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC