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3-Ketoquinalbarbitone
SpectraBase Compound ID L4bEEQhKfw8
InChI InChI=1S/C12H16N2O4/c1-4-5-12(7(2)6-8(3)15)9(16)13-11(18)14-10(12)17/h4,7H,1,5-6H2,2-3H3,(H2,13,14,16,17,18)
InChIKey MQVKUINISCVIQU-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xbqYO8BRnF
Name 3-Ketoquinalbarbitone
Alternate Name(s) 5-(4-oxidanylidenepentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione 5-(4-oxopentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione 5-Allyl-5-(1-methyl-3-oxo-butyl)hexahydropyrimidine-2,4,6-trione 5-Allyl-5-(1-methyl-3-oxobutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-Allyl-5-(3-keto-1-methyl-butyl)barbituric acid
CAS Registry Number 13450-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-4-5-12(7(2)6-8(3)15)9(16)13-11(18)14-10(12)17/h4,7H,1,5-6H2,2-3H3,(H2,13,14,16,17,18)
InChIKey MQVKUINISCVIQU-UHFFFAOYSA-N
Molecular Weight 252.270 g/mol
SMILES N1C(NC(C(C1=O)(C(CC(=O)C)C)CC=C)=O)=O
SPLASH splash10-00kf-9300000000-26fb94bf5a874d3f66b4
Source of Spectrum JZ-1992-1724-0
Wiley ID 1255215