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2-Anilino-4-(methylthio)-3-phenyl-1,3,5-triazepine-6,7-dione
SpectraBase Compound ID 1J6BjB00lbp
InChI InChI=1S/C17H14N4O2S/c1-24-17-20-15(23)14(22)19-16(18-12-8-4-2-5-9-12)21(17)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19,22)
InChIKey ZBCDEGPTPJCXSI-UHFFFAOYSA-N
Mol Weight 338.39 g/mol
Molecular Formula C17H14N4O2S
Exact Mass 338.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LO03XY1n7TJ
Name 3H-1,3,5-TRIAZEPINE-6,7-DIONE, 2-(METHYLTHIO)-3-PHENYL-4-(PHENYLAMINO)-
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Formula C17H14N4O2S
InChI InChI=1S/C17H14N4O2S/c1-24-17-20-15(23)14(22)19-16(18-12-8-4-2-5-9-12)21(17)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19,22)
InChIKey ZBCDEGPTPJCXSI-UHFFFAOYSA-N
Instrument Name CH5
Molecular Weight 338.0835
SMILES N(c1ccccc1)C=1N(c2ccccc2)C(SC)=NC(=O)C(=O)N1
SPLASH splash10-0005-9650000000-55071778adc0cbd18a3b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany