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4-Propyl-3-.delta(2).-(benzylthio)-1,2,4-triazolin-5-one
SpectraBase Compound ID GE9D97Is0p3
InChI InChI=1S/C12H15N3OS/c1-2-8-15-11(16)13-14-12(15)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,16)
InChIKey KDDMJTNCZBDHCM-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C12H15N3OS
Exact Mass 249.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8MAb3WocVA
Name 4-Propyl-3-.delta(2).-(benzylthio)-1,2,4-triazolin-5-one
Alternate Name(s) 4-(Propyl)-3-benzylthio-.delta.(2)-1,2,4-triazolin-5-one 3-(Phenylmethylthio)-4-propyl-1H-1,2,4-triazol-5-one 3-Benzylsulfanyl-4-propyl-1H-1,2,4-triazol-5-one 3-(Phenylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one
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Formula C12H15N3OS
InChI InChI=1S/C12H15N3OS/c1-2-8-15-11(16)13-14-12(15)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,16)
InChIKey KDDMJTNCZBDHCM-UHFFFAOYSA-N
Molecular Weight 249.332 g/mol
SMILES N1N=C(N(C1=O)CCC)SCc1ccccc1
SPLASH splash10-0006-9020000000-603744228da978694aed
Source of Spectrum SK-31-1603-3
Wiley ID 881987