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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptyl 5-methyl-2-methoxyphenyl ester
SpectraBase Compound ID 8LWtThJiCzM
InChI InChI=1S/C22H34O5/c1-6-9-10-11-12-15-26-20(23)22(7-2,8-3)21(24)27-19-16-17(4)13-14-18(19)25-5/h13-14,16H,6-12,15H2,1-5H3
InChIKey MUTBCJHBVYGQOT-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 3vYQZ3HIhpo
Name Diethylmalonic acid, heptyl 5-methyl-2-methoxyphenyl 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/c1-6-9-10-11-12-15-26-20(23)22(7-2,8-3)21(24)27-19-16-17(4)13-14-18(19)25-5/h13-14,16H,6-12,15H2,1-5H3
InChIKey MUTBCJHBVYGQOT-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES C(C(C(OCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O