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(2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(thiophen-2-ylmethoxy)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

View entire compound with spectra: 1 MS (GC)

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(thiophen-2-ylmethoxy)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID F2p4wJEC9qx
InChI InChI=1S/C26H28F2N6O2S/c1-19(26(35,16-34-18-29-17-30-34)22-8-7-20(27)14-23(22)28)32-9-11-33(12-10-32)24-5-2-6-25(31-24)36-15-21-4-3-13-37-21/h2-8,13-14,17-19,35H,9-12,15-16H2,1H3/t19-,26-/m1/s1
InChIKey VACSTDQWYUNXEI-NIYFSFCBSA-N
Mol Weight 526.61 g/mol
Molecular Formula C26H28F2N6O2S
Exact Mass 526.196252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jxmifOAbKm
Name (2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(thiophen-2-ylmethoxy)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
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Formula C26H28F2N6O2S
InChI InChI=1S/C26H28F2N6O2S/c1-19(26(35,16-34-18-29-17-30-34)22-8-7-20(27)14-23(22)28)32-9-11-33(12-10-32)24-5-2-6-25(31-24)36-15-21-4-3-13-37-21/h2-8,13-14,17-19,35H,9-12,15-16H2,1H3/t19-,26-/m1/s1
InChIKey VACSTDQWYUNXEI-NIYFSFCBSA-N
Ionization Type EI
Molecular Weight 526.607 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1cccc(n1)OCc1cccs1)[H])c1ccc(cc1F)F
SPLASH splash10-0002-9500000000-559c61324f6f7eab4e96
Source of Spectrum US20100144712A1
Wiley ID 1842368