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Diethylmalonic acid, 5-methyl-2-methoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 5-methyl-2-methoxyphenyl octyl ester
SpectraBase Compound ID 6YmyTDyngA9
InChI InChI=1S/C23H36O5/c1-6-9-10-11-12-13-16-27-21(24)23(7-2,8-3)22(25)28-20-17-18(4)14-15-19(20)26-5/h14-15,17H,6-13,16H2,1-5H3
InChIKey OVVFARCXKBRQIW-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9aLxcSq8CT
Name Diethylmalonic acid, 5-methyl-2-methoxyphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-6-9-10-11-12-13-16-27-21(24)23(7-2,8-3)22(25)28-20-17-18(4)14-15-19(20)26-5/h14-15,17H,6-13,16H2,1-5H3
InChIKey OVVFARCXKBRQIW-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(C(C(OCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O