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Diethylmalonic acid, 2-isopropylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-isopropylphenyl tetradecyl ester
SpectraBase Compound ID 3VZdyX8XWfj
InChI InChI=1S/C30H50O4/c1-6-9-10-11-12-13-14-15-16-17-18-21-24-33-28(31)30(7-2,8-3)29(32)34-27-23-20-19-22-26(27)25(4)5/h19-20,22-23,25H,6-18,21,24H2,1-5H3
InChIKey LIJPYWVOKLGHGF-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnRzr9XGVcr
Name Diethylmalonic acid, 2-isopropylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-6-9-10-11-12-13-14-15-16-17-18-21-24-33-28(31)30(7-2,8-3)29(32)34-27-23-20-19-22-26(27)25(4)5/h19-20,22-23,25H,6-18,21,24H2,1-5H3
InChIKey LIJPYWVOKLGHGF-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C(C)C)=O)CC