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Diethylmalonic acid, 2,3-dimethylphenyl undecyl ester

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Diethylmalonic acid, 2,3-dimethylphenyl undecyl ester
SpectraBase Compound ID 1LibBS000dc
InChI InChI=1S/C26H42O4/c1-6-9-10-11-12-13-14-15-16-20-29-24(27)26(7-2,8-3)25(28)30-23-19-17-18-21(4)22(23)5/h17-19H,6-16,20H2,1-5H3
InChIKey WVIWDLBDAKELMR-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsrAa1SbsLI
Name Diethylmalonic acid, 2,3-dimethylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-6-9-10-11-12-13-14-15-16-20-29-24(27)26(7-2,8-3)25(28)30-23-19-17-18-21(4)22(23)5/h17-19H,6-16,20H2,1-5H3
InChIKey WVIWDLBDAKELMR-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC