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3,3-Dimethyl-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
SpectraBase Compound ID GUhwkuo8c31
InChI InChI=1S/C18H19N3OS2/c1-18(2,3)15(22)12-24-17-20-19-16(14-10-7-11-23-14)21(17)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
InChIKey UVQLKHFDTNVZME-UHFFFAOYSA-N
Mol Weight 357.49 g/mol
Molecular Formula C18H19N3OS2
Exact Mass 357.096955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bSlAU9hFvr
Name 3,3-Dimethyl-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
Alternate Name(s) 3,3-Dimethyl-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-butanone 3,3-Dimethyl-1-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one 3,3-Dimethyl-1-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-2-one Butan-2-one, 3,3-dimethyl-1-(4-phenyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-
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Formula C18H19N3OS2
InChI InChI=1S/C18H19N3OS2/c1-18(2,3)15(22)12-24-17-20-19-16(14-10-7-11-23-14)21(17)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
InChIKey UVQLKHFDTNVZME-UHFFFAOYSA-N
Molecular Weight 357.490 g/mol
SMILES c1ccc(-[n]2c(nnc2SCC(C(C)(C)C)=O)-c2sccc2)cc1
SPLASH splash10-0pbc-9466000000-6049cc031c4007662026
Source of Spectrum AD-0-2532-0
Wiley ID 1436266