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3-Methyl-4-thio-5,5-diethylbarbituric acid
SpectraBase Compound ID Anqqp7UHVF0
InChI InChI=1S/C9H14N2O2S/c1-4-9(5-2)6(12)10-8(13)11(3)7(9)14/h4-5H2,1-3H3,(H,10,12,13)
InChIKey YLNGDSWSXGRCSU-UHFFFAOYSA-N
Mol Weight 214.28 g/mol
Molecular Formula C9H14N2O2S
Exact Mass 214.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iofatgsXNO
Name 3-Methyl-4-thio-5,5-diethylbarbituric acid
Alternate Name(s) 5,5-Diethyl-1-methyl-6-sulfanylidene-1,3-diazinane-2,4-dione 5,5-Diethyl-1-methyl-6-thioxo-5,6-dihydrouracil 5,5-Diethyl-1-methyl-6-thioxo-hexahydropyrimidine-2,4-dione 5,5-Diethyl-1-methyl-6-thioxodihydro-2,4(1H,3H)-pyrimidinedione
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Formula C9H14N2O2S
InChI InChI=1S/C9H14N2O2S/c1-4-9(5-2)6(12)10-8(13)11(3)7(9)14/h4-5H2,1-3H3,(H,10,12,13)
InChIKey YLNGDSWSXGRCSU-UHFFFAOYSA-N
Molecular Weight 214.283 g/mol
SMILES N1C(C(C(N(C1=O)C)=S)(CC)CC)=O
SPLASH splash10-000i-2910000000-ca8e562ae4604ba03d04
Source of Spectrum HC-12-445-0
Wiley ID 1213104