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2,2-bis(2-cyanoethyl)acetoacetic acid, ethyl ester

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHkujWm8qF6
Name 2,2-BIS(2-CYANOETHYL)ACETOACETIC ACID, ETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 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
Molecular Weight 236.27
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOACETIC ACID, 2,2-BIS/2-CYANOETHYL/-, ETHYL ESTER