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4-(2,4-Dichlorophenyl)-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
SpectraBase Compound ID dBCsoz9qDs
InChI InChI=1S/C13H9Cl2N3OS/c1-18-12(19)9(6-16)11(17-13(18)20-2)8-4-3-7(14)5-10(8)15/h3-5H,1-2H3
InChIKey NEFCTOOCJGPSAW-UHFFFAOYSA-N
Mol Weight 326.2 g/mol
Molecular Formula C13H9Cl2N3OS
Exact Mass 324.984338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESpAtCGDIyF
Name 4-(2,4-Dichlorophenyl)-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
CAS Registry Number 312290-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9Cl2N3OS
InChI InChI=1S/C13H9Cl2N3OS/c1-18-12(19)9(6-16)11(17-13(18)20-2)8-4-3-7(14)5-10(8)15/h3-5H,1-2H3
InChIKey NEFCTOOCJGPSAW-UHFFFAOYSA-N
Molecular Weight 326.201 g/mol
SMILES C1(=C(C(=O)N(C(=N1)SC)C)C#N)c1c(cc(cc1)Cl)Cl
SPLASH splash10-001i-9431000000-a3da71bb5ded17059400
Source of Spectrum AD-0-2532-0
Synonyms 4-(2,4-dichlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile 4-(2,4-dichlorophenyl)-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile 4-(2,4-dichlorophenyl)-1-methyl-2-methylsulfanyl-6-oxo-pyrimidine-5-carbonitrile 4-(2,4-dichlorophenyl)-6-keto-1-methyl-2-(methylthio)pyrimidine-5-carbonitrile Pyrimidine-5-carbonitrile, 3,4-dihydro-6-(2,4-dichlorophenyl)-3-methyl-2-methylthio-4-oxo-
Wiley ID 1426572