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4-Butyl-1-(toluene-4-sulfonyl)-1H-[1,2,3]triazole
SpectraBase Compound ID 3DfoA2A87gu
InChI InChI=1S/C13H17N3O2S/c1-3-4-5-12-10-16(15-14-12)19(17,18)13-8-6-11(2)7-9-13/h6-10H,3-5H2,1-2H3
InChIKey IYIYOIWRYMGZRS-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C13H17N3O2S
Exact Mass 279.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GFTD8eNuYB
Name 4-Butyl-1-(toluene-4-sulfonyl)-1H-[1,2,3]triazole
Alternate Name(s) 4-butyl-1-(4-methylphenyl)sulfonyltriazole 4-butyl-1-(p-tolylsulfonyl)triazole 4-butyl-1-(4-methylphenyl)sulfonyl-1,2,3-triazole
Comments Less than 3 mono-isotopic peaks
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Formula C13H17N3O2S
InChI InChI=1S/C13H17N3O2S/c1-3-4-5-12-10-16(15-14-12)19(17,18)13-8-6-11(2)7-9-13/h6-10H,3-5H2,1-2H3
InChIKey IYIYOIWRYMGZRS-UHFFFAOYSA-N
Molecular Weight 279.358 g/mol
SMILES c1(S([n]2nnc(c2)CCCC)(=O)=O)ccc(cc1)C
SPLASH splash10-00dl-6900000000-cb053d3ef077abc439f6
Source of Spectrum F-67-6297-3f
Wiley ID 1687499