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3-[1-(2-Carboxyethyl)-2,6-dioxocyclohexyl]propionic acid methyl ester
SpectraBase Compound ID FsXZsooUMUh
InChI InChI=1S/C13H18O6/c1-19-12(18)6-8-13(7-5-11(16)17)9(14)3-2-4-10(13)15/h2-8H2,1H3,(H,16,17)
InChIKey PPLBRSDXPRZCLO-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C13H18O6
Exact Mass 270.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gotwyl6UVQv
Name 3-[1-(2-Carboxyethyl)-2,6-dioxocyclohexyl]propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O6
InChI InChI=1S/C13H18O6/c1-19-12(18)6-8-13(7-5-11(16)17)9(14)3-2-4-10(13)15/h2-8H2,1H3,(H,16,17)
InChIKey PPLBRSDXPRZCLO-UHFFFAOYSA-N
Molecular Weight 270.281 g/mol
SMILES OC(CCC1(CCC(=O)OC)C(CCCC1=O)=O)=O
SPLASH splash10-00di-2960000000-76e35e8283dde2f2bcfb
Source of Spectrum KD-12-232-10
Synonyms 3-[1-(3-methoxy-3-oxopropyl)-2,6-dioxocyclohexyl]propanoic acid
Wiley ID 1634153