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Diethylmalonic acid, 3-ethylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-ethylphenyl undecyl ester
SpectraBase Compound ID B3DX11vewPZ
InChI InChI=1S/C26H42O4/c1-5-9-10-11-12-13-14-15-16-20-29-24(27)26(7-3,8-4)25(28)30-23-19-17-18-22(6-2)21-23/h17-19,21H,5-16,20H2,1-4H3
InChIKey BZQBMLFWHNZBOW-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 7VrnSBYZAcO
Name Diethylmalonic acid, 3-ethylphenyl 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/c1-5-9-10-11-12-13-14-15-16-20-29-24(27)26(7-3,8-4)25(28)30-23-19-17-18-22(6-2)21-23/h17-19,21H,5-16,20H2,1-4H3
InChIKey BZQBMLFWHNZBOW-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCC1=CC=CC(=C1)OC(C(C(OCCCCCCCCCCC)=O)(CC)CC)=O