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Acetoacetic acid, 2-chloro, ethyl ester

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Acetoacetic acid, 2-chloro, ethyl ester
SpectraBase Compound ID 1CMMvr2dhfD
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+;
InChIKey MPBUHDMCSCJMKP-FXRZFVDSSA-N
Mol Weight 164.59 g/mol
Molecular Formula C6H9ClO3
Exact Mass 164.024022 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 77RHDjKGLdJ
Name 2-CHLOROACETOACETIC ACID, ETHYL ESTER
Source of Sample Fluka AG, Buchs, Switzerland
Boiling Point 196-199C
Comments Enol form present
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9ClO3
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+;
InChIKey MPBUHDMCSCJMKP-FXRZFVDSSA-N
Molecular Weight 164.59
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETOACETIC ACID, 2-CHLORO-, ETHYL ESTER