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(2S,2S')-2,2'-[4,4'-(1,3-Phenylene)bis(1H-1,2,3-triazole-4, 1-diyl)]bis(2-phenylethanol)
SpectraBase Compound ID AXnOk9SLSP4
InChI InChI=1S/C26H24N6O2/c33-17-25(19-8-3-1-4-9-19)31-15-23(27-29-31)21-12-7-13-22(14-21)24-16-32(30-28-24)26(18-34)20-10-5-2-6-11-20/h1-16,25-26,33-34H,17-18H2/t25-,26-/m1/s1
InChIKey LNWCIMVQUCVAGB-CLJLJLNGSA-N
Mol Weight 452.52 g/mol
Molecular Formula C26H24N6O2
Exact Mass 452.196074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChE7O5MkrBu
Name (2S,2S')-2,2'-[4,4'-(1,3-Phenylene)bis(1H-1,2,3-triazole-4, 1-diyl)]bis(2-phenylethanol)
Alternate Name(s) (2S,2'S)-2,2'-(4,4'-(1,3-phenylene)bis(1H-1,2,3-triazole-4,1-diyl))bis(2-phenylethanol) (2S)-2-[4-[3-[1-[(1S)-2-hydroxy-1-phenylethyl]-4-triazolyl]phenyl]-1-triazolyl]-2-phenylethanol (2S)-2-[4-[3-[1-[(1S)-2-hydroxy-1-phenylethyl]triazol-4-yl]phenyl]triazol-1-yl]-2-phenylethanol (2S)-2-[4-[3-[1-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1,2,3-triazol-4-yl]phenyl]-1,2,3-triazol-1-yl]-2-phenyl-ethanol
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Formula C26H24N6O2
InChI InChI=1S/C26H24N6O2/c33-17-25(19-8-3-1-4-9-19)31-15-23(27-29-31)21-12-7-13-22(14-21)24-16-32(30-28-24)26(18-34)20-10-5-2-6-11-20/h1-16,25-26,33-34H,17-18H2/t25-,26-/m1/s1
InChIKey LNWCIMVQUCVAGB-CLJLJLNGSA-N
Literature Reference DOI 10.1021/jo2016339
Molecular Weight 452.518 g/mol
SMILES OC[C@@]([n]1nnc(-c2cc(-c3c[n]([C@](CO)(c4ccccc4)[H])nn3)ccc2)c1)(c1ccccc1)[H]
SPLASH splash10-0udi-3953000000-b3b03ecb237d964a5a46
Source of Spectrum J-76-8404-(S,S')_3ge
Wiley ID 1746927