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(2R,3R)-3-(4-(6-(benzyloxy)pyridin-3-yl)piperazin-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID 6B42pjLybAA
InChI InChI=1S/C28H30F2N6O2/c1-21(28(37,18-36-20-31-19-33-36)25-9-7-23(29)15-26(25)30)34-11-13-35(14-12-34)24-8-10-27(32-16-24)38-17-22-5-3-2-4-6-22/h2-10,15-16,19-21,37H,11-14,17-18H2,1H3/t21-,28-/m1/s1
InChIKey BIBPISTTZXJOMF-LYZGTLIUSA-N
Mol Weight 520.58 g/mol
Molecular Formula C28H30F2N6O2
Exact Mass 520.239831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 372GupiiyY
Name (2R,3R)-3-(4-(6-(benzyloxy)pyridin-3-yl)piperazin-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
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Formula C28H30F2N6O2
InChI InChI=1S/C28H30F2N6O2/c1-21(28(37,18-36-20-31-19-33-36)25-9-7-23(29)15-26(25)30)34-11-13-35(14-12-34)24-8-10-27(32-16-24)38-17-22-5-3-2-4-6-22/h2-10,15-16,19-21,37H,11-14,17-18H2,1H3/t21-,28-/m1/s1
InChIKey BIBPISTTZXJOMF-LYZGTLIUSA-N
Ionization Type EI
Molecular Weight 520.585 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1ccc(nc1)OCc1ccccc1)[H])c1ccc(cc1F)F
SPLASH splash10-0002-1090000000-bd8ea46daa060e8d316d
Source of Spectrum US20100144712A1
Wiley ID 1842372