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5-Ethyl-5-(3-ketocyclohexen-1-yl)barbituric acid
SpectraBase Compound ID EjZ9ax5nKnX
InChI InChI=1S/C12H14N2O4/c1-2-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14-10(12)17/h6H,2-5H2,1H3,(H2,13,14,16,17,18)
InChIKey QECKKEAIYXGFLF-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C12H14N2O4
Exact Mass 250.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B21SG1iNlI0
Name 5-Ethyl-5-(3-ketocyclohexen-1-yl)barbituric acid
Alternate Name(s) 5-Ethyl-5-(3-oxidanylidenecyclohexen-1-yl)-1,3-diazinane-2,4,6-trione 5-Ethyl-5-(3-oxo-1-cyclohexen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-Ethyl-5-(3-oxo-1-cyclohexenyl)-1,3-diazinane-2,4,6-trione 5-Ethyl-5-(3-oxocyclohexen-1-yl)-1,3-diazinane-2,4,6-trione 5-Ethyl-5-(3-oxocyclohexen-1-yl)hexahydropyrimidine-2,4,6-trione 5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione
CAS Registry Number 35305-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O4
InChI InChI=1S/C12H14N2O4/c1-2-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14-10(12)17/h6H,2-5H2,1H3,(H2,13,14,16,17,18)
InChIKey QECKKEAIYXGFLF-UHFFFAOYSA-N
Molecular Weight 250.254 g/mol
SMILES N1C(NC(C(C1=O)(C1=CC(=O)CCC1)CC)=O)=O
SPLASH splash10-00di-9770000000-54cd2763f14f3208a21b
Source of Spectrum JC-530-317-62
Wiley ID 1252978