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(2R,3R)-3-(4-(6-(butyloxy)pyridin-2-yl)piperazin-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID G6f3p9AKnDN
InChI InChI=1S/C25H32F2N6O2/c1-3-4-14-35-24-7-5-6-23(30-24)32-12-10-31(11-13-32)19(2)25(34,16-33-18-28-17-29-33)21-9-8-20(26)15-22(21)27/h5-9,15,17-19,34H,3-4,10-14,16H2,1-2H3/t19-,25-/m1/s1
InChIKey QVQXDDDDNBIXEO-KBMIEXCESA-N
Mol Weight 486.6 g/mol
Molecular Formula C25H32F2N6O2
Exact Mass 486.255481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeFnFaNDu0q
Name (2R,3R)-3-(4-(6-(butyloxy)pyridin-2-yl)piperazin-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
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Formula C25H32F2N6O2
InChI InChI=1S/C25H32F2N6O2/c1-3-4-14-35-24-7-5-6-23(30-24)32-12-10-31(11-13-32)19(2)25(34,16-33-18-28-17-29-33)21-9-8-20(26)15-22(21)27/h5-9,15,17-19,34H,3-4,10-14,16H2,1-2H3/t19-,25-/m1/s1
InChIKey QVQXDDDDNBIXEO-KBMIEXCESA-N
Ionization Type EI
Molecular Weight 486.568 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1cccc(n1)OCCCC)[H])c1ccc(cc1F)F
SPLASH splash10-03di-0190000000-129bebf72992b9fe0d64
Source of Spectrum US20100144712A1
Wiley ID 1842366