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Methyl 2,2-bis(2-cyanoethyl)-3-oxobutanoate
SpectraBase Compound ID 4PUAfBqIus5
InChI InChI=1S/C11H14N2O3/c1-9(14)11(5-3-7-12,6-4-8-13)10(15)16-2/h3-6H2,1-2H3
InChIKey YGLMDPHQYLRTBA-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C11H14N2O3
Exact Mass 222.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6Lg7bFvVOU
Name Methyl 2,2-bis(2-cyanoethyl)-3-oxobutanoate
CAS Registry Number 6282-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O3
InChI InChI=1S/C11H14N2O3/c1-9(14)11(5-3-7-12,6-4-8-13)10(15)16-2/h3-6H2,1-2H3
InChIKey YGLMDPHQYLRTBA-UHFFFAOYSA-N
Molecular Weight 222.244 g/mol
SMILES C(C(=O)OC)(C(=O)C)(CCC#N)CCC#N
SPLASH splash10-0006-9100000000-62b02660fe0707528f37
Source of Spectrum AD-0-2532-0
Synonyms 2,2-bis(2-cyanoethyl)-3-keto-butyric acid methyl ester 2,2-bis(2-cyanoethyl)-3-oxobutanoic acid methyl ester Butanoic acid, 2,2-bis(2-cyanoethyl)-3-oxo-, methyl ester Methyl 2,2-bis(2-cyanoethyl)-3-oxidanylidene-butanoate
Wiley ID 1419195