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Diethylmalonic acid, 2-methoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methoxyphenyl octyl ester
SpectraBase Compound ID JG9izwC3KAu
InChI InChI=1S/C22H34O5/c1-5-8-9-10-11-14-17-26-20(23)22(6-2,7-3)21(24)27-19-16-13-12-15-18(19)25-4/h12-13,15-16H,5-11,14,17H2,1-4H3
InChIKey QHJCBVGBAXUOJZ-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHAuDUptkKu
Name Diethylmalonic acid, 2-methoxyphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-5-8-9-10-11-14-17-26-20(23)22(6-2,7-3)21(24)27-19-16-13-12-15-18(19)25-4/h12-13,15-16H,5-11,14,17H2,1-4H3
InChIKey QHJCBVGBAXUOJZ-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES CCC(C(OCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC)=O)CC