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Diethylmalonic acid, hexyl 2-isopropylphenyl ester

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Diethylmalonic acid, hexyl 2-isopropylphenyl ester
SpectraBase Compound ID 9DB6IEPOa0l
InChI InChI=1S/C22H34O4/c1-6-9-10-13-16-25-20(23)22(7-2,8-3)21(24)26-19-15-12-11-14-18(19)17(4)5/h11-12,14-15,17H,6-10,13,16H2,1-5H3
InChIKey CSZMWHHDFPSNCL-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRNLIpoVHh7
Name Diethylmalonic acid, hexyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-6-9-10-13-16-25-20(23)22(7-2,8-3)21(24)26-19-15-12-11-14-18(19)17(4)5/h11-12,14-15,17H,6-10,13,16H2,1-5H3
InChIKey CSZMWHHDFPSNCL-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES CCC(C(OCCCCCC)=O)(C(OC1=C(C=CC=C1)C(C)C)=O)CC