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[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-3-quinolyl]methanol
SpectraBase Compound ID 2kzmhvNn5eZ
InChI InChI=1S/C13H12N4OS/c1-8-10(6-18)12(19-13-14-7-15-17-13)9-4-2-3-5-11(9)16-8/h2-5,7,18H,6H2,1H3,(H,14,15,17)
InChIKey UTLRDKQRAMXFRN-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kguZr9o3sN
Name [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-3-quinolyl]methanol
Alternate Name(s) [2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-3-yl]methanol [2-methyl-4-(1H-1,2,4-triazol-5-ylthio)-3-quinolinyl]methanol [2-methyl-4-(1H-1,2,4-triazol-5-ylthio)-3-quinolyl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c1-8-10(6-18)12(19-13-14-7-15-17-13)9-4-2-3-5-11(9)16-8/h2-5,7,18H,6H2,1H3,(H,14,15,17)
InChIKey UTLRDKQRAMXFRN-UHFFFAOYSA-N
Molecular Weight 272.326 g/mol
SMILES OCc1c(Sc2ncn[nH]2)c2c(nc1C)cccc2
SPLASH splash10-0006-0090000000-69b2dea3b17713f3e8c9
Source of Spectrum Y-34-1280-13
Wiley ID 1275831