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(2R,3R)-3-(4-(6-(benzyloxy)pyridin-2-yl)piperazin-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID 8MzbTJQqSSn
InChI InChI=1S/C28H30F2N6O2/c1-21(28(37,18-36-20-31-19-32-36)24-11-10-23(29)16-25(24)30)34-12-14-35(15-13-34)26-8-5-9-27(33-26)38-17-22-6-3-2-4-7-22/h2-11,16,19-21,37H,12-15,17-18H2,1H3/t21-,28-/m1/s1
InChIKey AXSPGJODDZFZRD-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 H2ddHYvHvne
Name (2R,3R)-3-(4-(6-(benzyloxy)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 C28H30F2N6O2
InChI InChI=1S/C28H30F2N6O2/c1-21(28(37,18-36-20-31-19-32-36)24-11-10-23(29)16-25(24)30)34-12-14-35(15-13-34)26-8-5-9-27(33-26)38-17-22-6-3-2-4-7-22/h2-11,16,19-21,37H,12-15,17-18H2,1H3/t21-,28-/m1/s1
InChIKey AXSPGJODDZFZRD-LYZGTLIUSA-N
Ionization Type EI
Molecular Weight 520.585 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1cccc(n1)OCc1ccccc1)[H])c1ccc(cc1F)F
SPLASH splash10-0002-0190000000-93e39ae68936b7e45764
Source of Spectrum US20100144712A1
Wiley ID 1842363