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Diethylmalonic acid, 2-acethylphenyl hexyl ester

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Diethylmalonic acid, 2-acethylphenyl hexyl ester
SpectraBase Compound ID DqqMKm1ifNE
InChI InChI=1S/C21H30O5/c1-5-8-9-12-15-25-19(23)21(6-2,7-3)20(24)26-18-14-11-10-13-17(18)16(4)22/h10-11,13-14H,5-9,12,15H2,1-4H3
InChIKey LOWGJNGUFVPJMS-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOtxLpjn0W0
Name Diethylmalonic acid, 2-acethylphenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-5-8-9-12-15-25-19(23)21(6-2,7-3)20(24)26-18-14-11-10-13-17(18)16(4)22/h10-11,13-14H,5-9,12,15H2,1-4H3
InChIKey LOWGJNGUFVPJMS-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES C(C(C(OCCCCCC)=O)(C(OC1=C(C=CC=C1)C(C)=O)=O)CC)C