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2,2-bis(2-cyanoethyl)acetoacetic acid, ethyl ester
SpectraBase Compound ID IkJCSEttbDz
InChI InChI=1S/C12H16N2O3/c1-3-17-11(16)12(10(2)15,6-4-8-13)7-5-9-14/h3-7H2,1-2H3
InChIKey QGRUOYKBWHYSJE-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HFPnUjvcL4U
Name 2,2-BIS(2-CYANOETHYL)ACETOACETIC ACID, ETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-3-17-11(16)12(10(2)15,6-4-8-13)7-5-9-14/h3-7H2,1-2H3
InChIKey QGRUOYKBWHYSJE-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 236.27
Solvent CDCl3; Reference=TMS; Temperature 297K