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Toluene-4-sulfonic acid 2'-(4-butyl-1,2,3-triazol-1-yl)-3'-methylbiphenyl-4-yl ester
SpectraBase Compound ID KhoMLZq24ud
InChI InChI=1S/C26H27N3O3S/c1-4-5-8-22-18-29(28-27-22)26-20(3)7-6-9-25(26)21-12-14-23(15-13-21)32-33(30,31)24-16-10-19(2)11-17-24/h6-7,9-18H,4-5,8H2,1-3H3
InChIKey JEHGMSGXYRWHHN-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 4v3D9zfTiTZ
Name Toluene-4-sulfonic acid 2'-(4-butyl-1,2,3-triazol-1-yl)-3'-methylbiphenyl-4-yl ester
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Formula C26H27N3O3S
InChI InChI=1S/C26H27N3O3S/c1-4-5-8-22-18-29(28-27-22)26-20(3)7-6-9-25(26)21-12-14-23(15-13-21)32-33(30,31)24-16-10-19(2)11-17-24/h6-7,9-18H,4-5,8H2,1-3H3
InChIKey JEHGMSGXYRWHHN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cssc.200900014
Molecular Weight 461.580 g/mol
SMILES c1(OS(=O)(=O)c2ccc(cc2)C)ccc(cc1)-c1cccc(c1-[n]1nnc(CCCC)c1)C
SPLASH splash10-005c-2190200000-9f103f9cf8883f4d4b18
Source of Spectrum CSC-2-546/SM17-6o
Synonyms 2'-(4-butyl-1H-1,2,3-triazol-1-yl)-3'-methyl-[1,1'-biphenyl]-4-yl 4-methylbenzenesulfonate
Wiley ID 1787297