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Diethylmalonic acid, 2,6-dimethoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,6-dimethoxyphenyl octyl ester
SpectraBase Compound ID 4zABPiAASbG
InChI InChI=1S/C23H36O6/c1-6-9-10-11-12-13-17-28-21(24)23(7-2,8-3)22(25)29-20-18(26-4)15-14-16-19(20)27-5/h14-16H,6-13,17H2,1-5H3
InChIKey WUOYBYKNCCKQQV-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C23H36O6
Exact Mass 408.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsV92WhFmzK
Name Diethylmalonic acid, 2,6-dimethoxyphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.251188873 u
Formula C23H36O6
InChI InChI=1S/C23H36O6/c1-6-9-10-11-12-13-17-28-21(24)23(7-2,8-3)22(25)29-20-18(26-4)15-14-16-19(20)27-5/h14-16H,6-13,17H2,1-5H3
InChIKey WUOYBYKNCCKQQV-UHFFFAOYSA-N
Molecular Weight 408.535 g/mol
SMILES COC1=C(C(=CC=C1)OC)OC(C(C(OCCCCCCCC)=O)(CC)CC)=O