For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R,3R)-3-(4-(benzooxazol-2-yl)-1,4-diazepan-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID Lca45X6KGE3
InChI InChI=1S/C24H26F2N6O2/c1-17(24(33,14-32-16-27-15-28-32)19-8-7-18(25)13-20(19)26)30-9-4-10-31(12-11-30)23-29-21-5-2-3-6-22(21)34-23/h2-3,5-8,13,15-17,33H,4,9-12,14H2,1H3/t17-,24-/m1/s1
InChIKey QWJDDJOKOVAKQT-MZNJEOGPSA-N
Mol Weight 468.51 g/mol
Molecular Formula C24H26F2N6O2
Exact Mass 468.20853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2lQMtp4eVk
Name (2R,3R)-3-(4-(benzooxazol-2-yl)-1,4-diazepan-1-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26F2N6O2
InChI InChI=1S/C24H26F2N6O2/c1-17(24(33,14-32-16-27-15-28-32)19-8-7-18(25)13-20(19)26)30-9-4-10-31(12-11-30)23-29-21-5-2-3-6-22(21)34-23/h2-3,5-8,13,15-17,33H,4,9-12,14H2,1H3/t17-,24-/m1/s1
InChIKey QWJDDJOKOVAKQT-MZNJEOGPSA-N
Ionization Type EI
Molecular Weight 468.509 g/mol
SMILES O[C@@](c1ccc(cc1F)F)([C@](N1CCCN(CC1)c1nc2c(o1)cccc2)(C)[H])C[n]1ncnc1
SPLASH splash10-0006-0790000000-c73e2a9fe095082fae17
Source of Spectrum US20100144712A1
Wiley ID 1842361