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2-(2-keto-3-methyl-butyl)malonic acid diethyl ester
SpectraBase Compound ID BqBRqkwi1up
InChI InChI=1S/C12H20O5/c1-5-16-11(14)9(12(15)17-6-2)7-10(13)8(3)4/h8-9H,5-7H2,1-4H3
InChIKey BRPNYTGAZPLHDI-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5R1fObgJOpo
Name 2-(2-keto-3-methyl-butyl)malonic acid diethyl ester
CAS Registry Number 61337-00-6
Compound Number 10F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-5-16-11(14)9(12(15)17-6-2)7-10(13)8(3)4/h8-9H,5-7H2,1-4H3
InChIKey BRPNYTGAZPLHDI-UHFFFAOYSA-N
Literature Reference Author T.SAKAI,T.KATAYAMA,A.TAKEDA
Literature Reference Citation J.ORG.CHEM.,46,2924(1981)
Literature Reference DOI 10.1021/jo00327a017
Molecular Weight 244.288 g/mol
Solvent CDCl3
Source File Reference UNIW20569