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Diethylmalonic acid, 2-isopropoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-isopropoxyphenyl octyl ester
SpectraBase Compound ID IwWj2mSHVKJ
InChI InChI=1S/C24H38O5/c1-6-9-10-11-12-15-18-27-22(25)24(7-2,8-3)23(26)29-21-17-14-13-16-20(21)28-19(4)5/h13-14,16-17,19H,6-12,15,18H2,1-5H3
InChIKey XYDRVFWOAQUAHT-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmL9fOPMU2F
Name Diethylmalonic acid, 2-isopropoxyphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-6-9-10-11-12-15-18-27-22(25)24(7-2,8-3)23(26)29-21-17-14-13-16-20(21)28-19(4)5/h13-14,16-17,19H,6-12,15,18H2,1-5H3
InChIKey XYDRVFWOAQUAHT-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES CCC(C(OCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC