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Diethylmalonic acid, 2-isopropylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-isopropylphenyl pentadecyl ester
SpectraBase Compound ID 4ZrxqEj8qbW
InChI InChI=1S/C31H52O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-22-25-34-29(32)31(7-2,8-3)30(33)35-28-24-21-20-23-27(28)26(4)5/h20-21,23-24,26H,6-19,22,25H2,1-5H3
InChIKey CXLRELAXJGLEPP-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjI2C7lHE62
Name Diethylmalonic acid, 2-isopropylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-22-25-34-29(32)31(7-2,8-3)30(33)35-28-24-21-20-23-27(28)26(4)5/h20-21,23-24,26H,6-19,22,25H2,1-5H3
InChIKey CXLRELAXJGLEPP-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C(C)C)=O)CC