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4-Methyl-3-butylthio-.delta.(2)-1,2,4-triazolin-5-one
SpectraBase Compound ID DpTim66Aovq
InChI InChI=1S/C7H13N3OS/c1-3-4-5-12-7-9-8-6(11)10(7)2/h3-5H2,1-2H3,(H,8,11)
InChIKey XWDRTXZVKOSHHT-UHFFFAOYSA-N
Mol Weight 187.26 g/mol
Molecular Formula C7H13N3OS
Exact Mass 187.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13dKDCONhne
Name 4-Methyl-3-butylthio-.delta.(2)-1,2,4-triazolin-5-one
Alternate Name(s) 4-Methyl-3-.delta(2).-(butylthio)-1,2,4-triazolin-5-one 3-Butylsulfanyl-4-methyl-1H-1,2,4-triazol-5-one
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Formula C7H13N3OS
InChI InChI=1S/C7H13N3OS/c1-3-4-5-12-7-9-8-6(11)10(7)2/h3-5H2,1-2H3,(H,8,11)
InChIKey XWDRTXZVKOSHHT-UHFFFAOYSA-N
Molecular Weight 187.261 g/mol
SMILES N1N=C(N(C1=O)C)SCCCC
SPLASH splash10-001i-1900000000-7d0447cbde376264a64d
Source of Spectrum KC-57-2005-5
Wiley ID 1623245