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6-Ethyl-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile
SpectraBase Compound ID 4zFm6dh8ijv
InChI InChI=1S/C7H7N3OS/c1-2-5-4(3-8)6(11)10-7(12)9-5/h2H2,1H3,(H2,9,10,11,12)
InChIKey HISFLXZFRLWAGH-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C7H7N3OS
Exact Mass 181.030983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQ4Hg8OtNiN
Name 6-Ethyl-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile
Alternate Name(s) 6-Ethyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 1,2,3,4-Tetrahydro-6-ethyl-4-oxo-2-thioxo-5-pyrimidinecarbonitrile 6-Ethyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-Ethyl-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile 6-Ethyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7N3OS
InChI InChI=1S/C7H7N3OS/c1-2-5-4(3-8)6(11)10-7(12)9-5/h2H2,1H3,(H2,9,10,11,12)
InChIKey HISFLXZFRLWAGH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo401193e
Molecular Weight 181.213 g/mol
SMILES N1C(NC(C(C#N)=C1CC)=O)=S
SPLASH splash10-001i-2900000000-86e2b025e9956469090a
Source of Spectrum J-78-7996-5d
Wiley ID 1745713