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3-[1-(2-Methoxycarbonylethyl)-2,6-dioxocyclohexyl]propionic acid methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-[1-(2-Methoxycarbonylethyl)-2,6-dioxocyclohexyl]propionic acid methyl ester
SpectraBase Compound ID AQuKzdNp3hI
InChI InChI=1S/C14H20O6/c1-19-12(17)6-8-14(9-7-13(18)20-2)10(15)4-3-5-11(14)16/h3-9H2,1-2H3
InChIKey HUHTZILJZUKSIB-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C14H20O6
Exact Mass 284.125988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DfqsHfNK4QX
Name 3-[1-(2-Methoxycarbonylethyl)-2,6-dioxocyclohexyl]propionic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.125988358 u
Formula C14H20O6
InChI InChI=1S/C14H20O6/c1-19-12(17)6-8-14(9-7-13(18)20-2)10(15)4-3-5-11(14)16/h3-9H2,1-2H3
InChIKey HUHTZILJZUKSIB-UHFFFAOYSA-N
SMILES C(CCC1(C(CCCC1=O)=O)CCC(=O)OC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918302