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Diethylmalonic acid, 2-isopropoxyphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-isopropoxyphenyl tetradecyl ester
SpectraBase Compound ID 8aYKNMh4Lau
InChI InChI=1S/C30H50O5/c1-6-9-10-11-12-13-14-15-16-17-18-21-24-33-28(31)30(7-2,8-3)29(32)35-27-23-20-19-22-26(27)34-25(4)5/h19-20,22-23,25H,6-18,21,24H2,1-5H3
InChIKey WDCULJIBPPWWLF-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FlSWzUthJ2
Name Diethylmalonic acid, 2-isopropoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.365824705 u
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-6-9-10-11-12-13-14-15-16-17-18-21-24-33-28(31)30(7-2,8-3)29(32)35-27-23-20-19-22-26(27)34-25(4)5/h19-20,22-23,25H,6-18,21,24H2,1-5H3
InChIKey WDCULJIBPPWWLF-UHFFFAOYSA-N
Molecular Weight 490.725 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC