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3-oxoglutaric acid, diethyl ester
SpectraBase Compound ID 5qmLP4O3iIq
InChI InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3
InChIKey ZSANYRMTSBBUCA-UHFFFAOYSA-N
Mol Weight 202.21 g/mol
Molecular Formula C9H14O5
Exact Mass 202.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbYkYORrTXn
Name Pentanedioic acid, 3-oxo-, diethyl ester
CAS Registry Number 105-50-0
Comments Edited after expert review for air contamination - Original record with SpectrumID 1471855 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O5
InChI InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3
InChIKey ZSANYRMTSBBUCA-UHFFFAOYSA-N
Molecular Weight 202.206 g/mol
SMILES CCOC(=O)CC(=O)CC(=O)OCC
SPLASH splash10-00ou-9300000000-9da8f86f44d2129fdec5
Synonyms 3-ketoglutaric acid diethyl ester 3-Oxoglutaric acid, diethyl ester 3-Oxopentanedioic acid, diethyl ester Acetonedicarboxylic acid, diethyl ester Butanoic acid, (ethoxycarbonyl)-3-oxo-, ethyl ester Diethyl .beta.-oxoglutarate Diethyl 1,3-acetone dicarboxylate Diethyl 3-oxidanylidenepentanedioate Diethyl 3-oxoglutarate Diethyl 3-oxopentanedioate Diethyl acetone dicarboxylate Ethyl 3-oxoglutarate Ethyl acetonedicarboxylate Glutaric acid, 3-oxo-, diethyl ester AI3-06002 EINECS 203-302-2 NSC 9013
Wiley ID 1820820