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Diethylmalonic acid, 2-methylphenyl propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, 2-methylphenyl propyl ester
SpectraBase Compound ID 1u3oEFYMvw3
InChI InChI=1S/C17H24O4/c1-5-12-20-15(18)17(6-2,7-3)16(19)21-14-11-9-8-10-13(14)4/h8-11H,5-7,12H2,1-4H3
InChIKey HKZRGKVAOHZDDV-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ljrkg7AGpvo
Name Diethylmalonic acid, 2-methylphenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.167459249 u
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-5-12-20-15(18)17(6-2,7-3)16(19)21-14-11-9-8-10-13(14)4/h8-11H,5-7,12H2,1-4H3
InChIKey HKZRGKVAOHZDDV-UHFFFAOYSA-N
SMILES CCC(C(OCCC)=O)(C(OC=1C(=CC=CC1)C)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833894