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(2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(2-morpholinoethoxy)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-(2-morpholinoethoxy)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID KTrljqFnjP2
InChI InChI=1S/C27H35F2N7O3/c1-21(27(37,18-36-20-30-19-31-36)23-6-5-22(28)17-24(23)29)34-7-9-35(10-8-34)25-3-2-4-26(32-25)39-16-13-33-11-14-38-15-12-33/h2-6,17,19-21,37H,7-16,18H2,1H3/t21-,27-/m1/s1
InChIKey QROGEJYGQIFPNR-JIPXPUAJSA-N
Mol Weight 543.6 g/mol
Molecular Formula C27H35F2N7O3
Exact Mass 543.276944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrDaVaZ4xql
Name (2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(2-morpholinoethoxy)pyridin-2-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 C27H35F2N7O3
InChI InChI=1S/C27H35F2N7O3/c1-21(27(37,18-36-20-30-19-31-36)23-6-5-22(28)17-24(23)29)34-7-9-35(10-8-34)25-3-2-4-26(32-25)39-16-13-33-11-14-38-15-12-33/h2-6,17,19-21,37H,7-16,18H2,1H3/t21-,27-/m1/s1
InChIKey QROGEJYGQIFPNR-JIPXPUAJSA-N
Ionization Type EI
Molecular Weight 543.620 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1cccc(n1)OCCN1CCOCC1)[H])c1ccc(cc1F)F
SPLASH splash10-014i-0209000000-7a44c673f2f63963652f
Source of Spectrum US20100144712A1
Wiley ID 1842369