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1(2H)-Pyrimidinepropanenitrile, 5,5-diethyltetrahydro-3-methyl-2,4,6-trioxo-
SpectraBase Compound ID 7S0Ya0Mi3g5
InChI InChI=1S/C12H17N3O3/c1-4-12(5-2)9(16)14(3)11(18)15(10(12)17)8-6-7-13/h4-6,8H2,1-3H3
InChIKey UZQYSWOMRCNDOU-UHFFFAOYSA-N
Mol Weight 251.29 g/mol
Molecular Formula C12H17N3O3
Exact Mass 251.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aQzZAAGaWI
Name 1(2H)-Pyrimidinepropanenitrile, 5,5-diethyltetrahydro-3-methyl-2,4,6-trioxo-
CAS Registry Number 80196-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N3O3
InChI InChI=1S/C12H17N3O3/c1-4-12(5-2)9(16)14(3)11(18)15(10(12)17)8-6-7-13/h4-6,8H2,1-3H3
InChIKey UZQYSWOMRCNDOU-UHFFFAOYSA-N
Molecular Weight 251.286 g/mol
SMILES C1(N(C(C(C(N1C)=O)(CC)CC)=O)CCC#N)=O
SPLASH splash10-0ab9-4590000000-95edb84d0e3dc3417519
Source of Spectrum H-64-1810-0
Synonyms 3-(5,5-diethyl-3-methyl-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl)propanenitrile 5,5-Diethyl-3-(2'-cyanoethyl)-1-methyl-2,4,6-trioxo-hexahydropyrimidine 3-(5,5-diethyl-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)propanenitrile 3-(5,5-diethyl-3-methyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)propanenitrile 3-[5,5-diethyl-3-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]propanenitrile
Wiley ID 1254421