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Diethylmalonic acid, 2-formylphenyl heptyl ester

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Diethylmalonic acid, 2-formylphenyl heptyl ester
SpectraBase Compound ID K8spqrQKbc8
InChI InChI=1S/C21H30O5/c1-4-7-8-9-12-15-25-19(23)21(5-2,6-3)20(24)26-18-14-11-10-13-17(18)16-22/h10-11,13-14,16H,4-9,12,15H2,1-3H3
InChIKey LYCMPLCWVDESBM-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 A7oJA4Jx15X
Name Diethylmalonic acid, 2-formylphenyl heptyl 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/c1-4-7-8-9-12-15-25-19(23)21(5-2,6-3)20(24)26-18-14-11-10-13-17(18)16-22/h10-11,13-14,16H,4-9,12,15H2,1-3H3
InChIKey LYCMPLCWVDESBM-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC