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4-(1-Phenylpropyl)amino-3-mercapto-6-methyl-4H-1,2,4-triazin-5-one
SpectraBase Compound ID 8crLER5aIKG
InChI InChI=1S/C13H16N4OS/c1-3-11(10-7-5-4-6-8-10)16-17-12(18)9(2)14-15-13(17)19/h4-8,11,16H,3H2,1-2H3,(H,15,19)
InChIKey CNEUJZDYTTXFPU-UHFFFAOYSA-N
Mol Weight 276.36 g/mol
Molecular Formula C13H16N4OS
Exact Mass 276.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgrPFY0d4Mg
Name 4-(1-Phenylpropyl)amino-3-mercapto-6-methyl-4H-1,2,4-triazin-5-one
Alternate Name(s) 6-Methyl-4-[(1-phenylpropyl)amino]-3-sulfanyl-1,2,4-triazin-5(4H)-one
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Formula C13H16N4OS
InChI InChI=1S/C13H16N4OS/c1-3-11(10-7-5-4-6-8-10)16-17-12(18)9(2)14-15-13(17)19/h4-8,11,16H,3H2,1-2H3,(H,15,19)
InChIKey CNEUJZDYTTXFPU-UHFFFAOYSA-N
Molecular Weight 276.358 g/mol
SMILES N(N1C(C(=NN=C1S)C)=O)C(CC)c1ccccc1
SPLASH splash10-0002-0940000000-8d23b1208bafe4979cb7
Source of Spectrum QC-17-2622-4
Wiley ID 1638549