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Diethylmalonic acid, 2-formylphenyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-formylphenyl octyl ester
SpectraBase Compound ID 8e5RpxaQZZI
InChI InChI=1S/C22H32O5/c1-4-7-8-9-10-13-16-26-20(24)22(5-2,6-3)21(25)27-19-15-12-11-14-18(19)17-23/h11-12,14-15,17H,4-10,13,16H2,1-3H3
InChIKey ICJISCSIRIDCBK-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZxJqdwqO3q
Name Diethylmalonic acid, 2-formylphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.224974125 u
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-4-7-8-9-10-13-16-26-20(24)22(5-2,6-3)21(25)27-19-15-12-11-14-18(19)17-23/h11-12,14-15,17H,4-10,13,16H2,1-3H3
InChIKey ICJISCSIRIDCBK-UHFFFAOYSA-N
Molecular Weight 376.493 g/mol
SMILES CCC(C(OCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC