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4-Butyl-3-benzylthio-.delta.(2)-1,2,4-triazolin-5-one

View entire compound with spectra: 1 MS (GC)

4-Butyl-3-benzylthio-.delta.(2)-1,2,4-triazolin-5-one
SpectraBase Compound ID CHYcGeoMW1N
InChI InChI=1S/C13H17N3OS/c1-2-3-9-16-12(17)14-15-13(16)18-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,14,17)
InChIKey UDCGQYQOVIFIPJ-UHFFFAOYSA-N
Mol Weight 263.36 g/mol
Molecular Formula C13H17N3OS
Exact Mass 263.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOKlB5opuFV
Name 4-Butyl-3-benzylthio-.delta.(2)-1,2,4-triazolin-5-one
Alternate Name(s) 4-Butyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-one 3-Benzylsulfanyl-4-butyl-1H-1,2,4-triazol-5-one 4-Butyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one
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Formula C13H17N3OS
InChI InChI=1S/C13H17N3OS/c1-2-3-9-16-12(17)14-15-13(16)18-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,14,17)
InChIKey UDCGQYQOVIFIPJ-UHFFFAOYSA-N
Molecular Weight 263.359 g/mol
SMILES N1N=C(N(C1=O)CCCC)SCc1ccccc1
SPLASH splash10-01ox-9070000000-94c7559780297dd21c75
Source of Spectrum KC-57-2008-5
Wiley ID 1623241