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[1,2,3,4-(13)C(4)-ETHYL-2-CHLOROACETOACETATE;KETO-FORM+ENOL-FORM;MIXTURE

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[1,2,3,4-(13)C(4)-ETHYL-2-CHLOROACETOACETATE;KETO-FORM+ENOL-FORM;MIXTURE
SpectraBase Compound ID Dpr6rCMliDU
InChI InChI=1S/2C6H9ClO3/c2*1-3-10-6(9)5(7)4(2)8/h8H,3H2,1-2H3;5H,3H2,1-2H3/b5-4+;/i2*3+1,4+1,5+1,6+1
InChIKey MPBUHDMCSCJMKP-YCLNBGCHSA-N
Mol Weight 168.56 g/mol
Molecular Formula C213C4H9ClO3
Exact Mass 168.037441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XnGr7B6EtK
Name [1,2,3,4-(13)C(4)-ETHYL-2-CHLOROACETOACETATE;KETO-FORM+ENOL-FORM;MIXTURE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C813C4H18Cl2O6
InChI InChI=1S/2C6H9ClO3/c2*1-3-10-6(9)5(7)4(2)8/h8H,3H2,1-2H3;5H,3H2,1-2H3/b5-4+;/i2*3+1,4+1,5+1,6+1
InChIKey MPBUHDMCSCJMKP-YCLNBGCHSA-N
Literature Reference Author A.F.L.CREEMERS,J.LUGTENBURG
Literature Reference Citation J.AM.CHEM.SOC.,124,6324(2002)
Literature Reference DOI 10.1021/ja012368h
Molecular Weight 333.147 g/mol
Sample ID 50437
Solvent CDCl3