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Toluene-4-sulfonic acid 4-(5-butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-phenyl ester
SpectraBase Compound ID HxFTzysoU0S
InChI InChI=1S/C26H27N3O3S/c1-4-5-9-24-26(29(28-27-24)25-10-7-6-8-20(25)3)21-13-15-22(16-14-21)32-33(30,31)23-17-11-19(2)12-18-23/h6-8,10-18H,4-5,9H2,1-3H3
InChIKey YDZRQNGXGSVCDR-UHFFFAOYSA-N
Mol Weight 461.58 g/mol
Molecular Formula C26H27N3O3S
Exact Mass 461.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KT7ARe7VSuo
Name Toluene-4-sulfonic acid 4-(5-butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-phenyl ester
Alternate Name(s) 4-(4-butyl-1-(o-tolyl)-1H-1,2,3-triazol-5-yl)phenyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [4-[5-butyl-3-(2-methylphenyl)-4-triazolyl]phenyl] ester [4-[5-butyl-3-(2-methylphenyl)triazol-4-yl]phenyl] 4-methylbenzenesulfonate [4-[5-butyl-3-(o-tolyl)triazol-4-yl]phenyl] 4-methylbenzenesulfonate [4-[5-butyl-3-(2-methylphenyl)-1,2,3-triazol-4-yl]phenyl] 4-methylbenzenesulfonate
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Formula C26H27N3O3S
InChI InChI=1S/C26H27N3O3S/c1-4-5-9-24-26(29(28-27-24)25-10-7-6-8-20(25)3)21-13-15-22(16-14-21)32-33(30,31)23-17-11-19(2)12-18-23/h6-8,10-18H,4-5,9H2,1-3H3
InChIKey YDZRQNGXGSVCDR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800016
Molecular Weight 461.580 g/mol
SMILES c1(ccc(cc1)S(=O)(=O)Oc1ccc(cc1)-c1[n](nnc1CCCC)-c1c(cccc1)C)C
SPLASH splash10-004i-5090000000-3b979a3cb777eedd146c
Source of Spectrum ASC-350-741/SM23-3bc
Wiley ID 1766137