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Cyano-(4-methylsulfanyl-6-phenyl-[1,3,5]triazin-2-yl)-acetic acid methyl ester
SpectraBase Compound ID 8TcRimiuhrd
InChI InChI=1S/C14H12N4O2S/c1-20-13(19)10(8-15)12-16-11(17-14(18-12)21-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKey SSCAFLSLRAOQKF-UHFFFAOYSA-N
Mol Weight 300.34 g/mol
Molecular Formula C14H12N4O2S
Exact Mass 300.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSgrNOSQJzT
Name Cyano-(4-methylsulfanyl-6-phenyl-[1,3,5]triazin-2-yl)-acetic acid methyl ester
Alternate Name(s) Methyl (2-Methylamino-4-phenyl-1,3,5-triazin-6-yl)cyanoacetate Methyl (2-methylsulfanyl-4-phenyl-1,3,5-triazin-6-yl)cyanoacetate Methyl cyano[4-(methylsulfanyl)-6-phenyl-1,3,5-triazin-2-yl]acetate
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Formula C14H12N4O2S
InChI InChI=1S/C14H12N4O2S/c1-20-13(19)10(8-15)12-16-11(17-14(18-12)21-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKey SSCAFLSLRAOQKF-UHFFFAOYSA-N
Molecular Weight 300.336 g/mol
SMILES c1(nc(SC)nc(n1)-c1ccccc1)C(C(=O)OC)C#N
SPLASH splash10-0udi-4559000000-8b006eebd467c60269c8
Source of Spectrum H1-43-848-13
Wiley ID 758051