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(2R,3R)-3-(4-(6-nitrobenzothiazol-2-yl)piperazin-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID FlszBe1QmkK
InChI InChI=1S/C23H23F2N7O3S/c1-15(23(33,12-31-14-26-13-27-31)18-4-2-16(24)10-19(18)25)29-6-8-30(9-7-29)22-28-20-5-3-17(32(34)35)11-21(20)36-22/h2-5,10-11,13-15,33H,6-9,12H2,1H3/t15-,23-/m1/s1
InChIKey QSYGQEZRDZDMIF-IQMFZBJNSA-N
Mol Weight 515.54 g/mol
Molecular Formula C23H23F2N7O3S
Exact Mass 515.155115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HhIaW6IcZA
Name (2R,3R)-3-(4-(6-nitrobenzothiazol-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 C23H23F2N7O3S
InChI InChI=1S/C23H23F2N7O3S/c1-15(23(33,12-31-14-26-13-27-31)18-4-2-16(24)10-19(18)25)29-6-8-30(9-7-29)22-28-20-5-3-17(32(34)35)11-21(20)36-22/h2-5,10-11,13-15,33H,6-9,12H2,1H3/t15-,23-/m1/s1
InChIKey QSYGQEZRDZDMIF-IQMFZBJNSA-N
Ionization Type EI
Molecular Weight 515.540 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1sc2c(n1)ccc(c2)[N+](=O)[O-])[H])c1ccc(cc1F)F
SPLASH splash10-0006-0190000000-e75c9c64614eb0e46e5e
Source of Spectrum US20100144712A1
Wiley ID 1842360