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(2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(thiophen-2-ylmethoxy)pyridin-3-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-3-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID EpD1GL29368
InChI InChI=1S/C26H28F2N6O2S/c1-19(26(35,16-34-18-29-17-31-34)23-6-4-20(27)13-24(23)28)32-8-10-33(11-9-32)21-5-7-25(30-14-21)36-15-22-3-2-12-37-22/h2-7,12-14,17-19,35H,8-11,15-16H2,1H3/t19-,26-/m1/s1
InChIKey VPMDWLMXZWQEFH-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 6B8mPMaMCND
Name (2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(thiophen-2-ylmethoxy)pyridin-3-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28F2N6O2S
InChI InChI=1S/C26H28F2N6O2S/c1-19(26(35,16-34-18-29-17-31-34)23-6-4-20(27)13-24(23)28)32-8-10-33(11-9-32)21-5-7-25(30-14-21)36-15-22-3-2-12-37-22/h2-7,12-14,17-19,35H,8-11,15-16H2,1H3/t19-,26-/m1/s1
InChIKey VPMDWLMXZWQEFH-NIYFSFCBSA-N
Ionization Type EI
Molecular Weight 526.607 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1ccc(nc1)OCc1sccc1)[H])c1ccc(cc1F)F
SPLASH splash10-0002-9500000000-bd02fb089dba6aa2c36f
Source of Spectrum US20100144712A1
Wiley ID 1842379