John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FZitamOolmR SpectraBase Spectrum ID=2HTiWRCCsF6

(accessed ).
4'-{[5-(2-Butyl-3-(3-methylphenyl))-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole
SpectraBase Compound ID FZitamOolmR
InChI InChI=1S/C26H27N7OS/c1-3-4-12-25-29-33(22-9-7-8-19(2)17-22)35(34)32(25)18-20-13-15-21(16-14-20)23-10-5-6-11-24(23)26-27-30-31-28-26/h5-11,13-17H,3-4,12,18H2,1-2H3,(H,27,28,30,31)
InChIKey GUCIKZGFVSCVEN-UHFFFAOYSA-N
Mol Weight 485.61 g/mol
Molecular Formula C26H27N7OS
Exact Mass 485.19978 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID 2HTiWRCCsF6
Name 4'-{[5-(2-Butyl-3-(3-methylphenyl))-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole
Classification Biphenyls and derivatives
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Formula C26H27N7OS
InChI InChI=1S/C26H27N7OS/c1-3-4-12-25-29-33(22-9-7-8-19(2)17-22)35(34)32(25)18-20-13-15-21(16-14-20)23-10-5-6-11-24(23)26-27-30-31-28-26/h5-11,13-17H,3-4,12,18H2,1-2H3,(H,27,28,30,31)
InChIKey GUCIKZGFVSCVEN-UHFFFAOYSA-N
SPLASH splash10-000i-0010900000-0d8460078d2616d295ed
Source of Spectrum QA-43-91-65
SpectraBase Batch ID LuWjCkpL3KV