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Pentobarbital
SpectraBase Compound ID CMIDElRh6z0
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C11H18N2O3
Exact Mass 226.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LK2rfOjIDOI
Name Pentobarbital
Alternate Name(s) Nembutal 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-Ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
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Formula C11H18N2O3
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Molecular Weight 226.276 g/mol
SMILES N1C(NC(C(C(CCC)C)(CC)C1=O)=O)=O
SPLASH splash10-0a4l-5900000000-3091839746bcefb6c7fa
Source of Spectrum SWG-33-3038-0
Wiley ID 1810005