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(2R,3R)-2-(2,4-difluorophenyl)-3-(4-((pyridin-2-yl)methyl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID 5lpWQtQvrEp
InChI InChI=1S/C22H26F2N6O/c1-17(29-10-8-28(9-11-29)13-19-4-2-3-7-26-19)22(31,14-30-16-25-15-27-30)20-6-5-18(23)12-21(20)24/h2-7,12,15-17,31H,8-11,13-14H2,1H3/t17-,22-/m1/s1
InChIKey GAXVILLNYCSHFZ-VGOFRKELSA-N
Mol Weight 428.49 g/mol
Molecular Formula C22H26F2N6O
Exact Mass 428.213616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YXeUh3iBNd
Name (2R,3R)-2-(2,4-difluorophenyl)-3-(4-((pyridin-2-yl)methyl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
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Formula C22H26F2N6O
InChI InChI=1S/C22H26F2N6O/c1-17(29-10-8-28(9-11-29)13-19-4-2-3-7-26-19)22(31,14-30-16-25-15-27-30)20-6-5-18(23)12-21(20)24/h2-7,12,15-17,31H,8-11,13-14H2,1H3/t17-,22-/m1/s1
InChIKey GAXVILLNYCSHFZ-VGOFRKELSA-N
Ionization Type EI
Molecular Weight 428.488 g/mol
SMILES O[C@@](c1ccc(cc1F)F)([C@](N1CCN(CC1)Cc1ccccn1)(C)[H])C[n]1ncnc1
SPLASH splash10-0udi-0951000000-7e467224dab19923dea5
Source of Spectrum US20100144712A1
Wiley ID 1842386