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Diethylmalonic acid, heptyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 44DyHduMEB4
InChI InChI=1S/C23H36O5/c1-6-9-10-11-14-17-26-21(24)23(7-2,8-3)22(25)28-20-16-13-12-15-19(20)27-18(4)5/h12-13,15-16,18H,6-11,14,17H2,1-5H3
InChIKey FFZHYGBCLIOAIX-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 HT0EsKCt65e
Name Diethylmalonic acid, heptyl 2-isopropoxyphenyl 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/c1-6-9-10-11-14-17-26-21(24)23(7-2,8-3)22(25)28-20-16-13-12-15-19(20)27-18(4)5/h12-13,15-16,18H,6-11,14,17H2,1-5H3
InChIKey FFZHYGBCLIOAIX-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC