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

*Links on SpectraBase are not permalinks.
8-[Bis(4-fluorophenyl)methylene]-1-carbamoyl-4,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.0]octan-2-one
SpectraBase Compound ID KnQX3IpeGoQ
InChI InChI=1S/C33H24F4N2O2/c34-23-9-1-19(2-10-23)29(20-3-11-24(35)12-4-20)27-17-18-28-32(27,30(38)40)31(41)39-33(28,21-5-13-25(36)14-6-21)22-7-15-26(37)16-8-22/h1-16,28H,17-18H2,(H2,38,40)(H,39,41)/t28-,32+/m0/s1
InChIKey VQLCBMFOTWVDIJ-GMCHKSTQSA-N
Mol Weight 556.6 g/mol
Molecular Formula C33H24F4N2O2
Exact Mass 556.177391 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 6NlcPLNOsvI
Name 8-[Bis(4-fluorophenyl)methylene]-1-carbamoyl-4,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.0]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H24F4N2O2
InChI InChI=1S/C33H24F4N2O2/c34-23-9-1-19(2-10-23)29(20-3-11-24(35)12-4-20)27-17-18-28-32(27,30(38)40)31(41)39-33(28,21-5-13-25(36)14-6-21)22-7-15-26(37)16-8-22/h1-16,28H,17-18H2,(H2,38,40)(H,39,41)/t28-,32+/m0/s1
InChIKey VQLCBMFOTWVDIJ-GMCHKSTQSA-N
Molecular Weight 556.561 g/mol
SMILES N1C([C@]2(CCC([C@@]2(C(=O)N)C1=O)=C(c1ccc(cc1)F)c1ccc(cc1)F)[H])(c1ccc(cc1)F)c1ccc(cc1)F
SPLASH splash10-0bt9-0050090000-fe915abacd89e27c22d3
Source of Spectrum AJ-68-2005-2
Synonyms (3aS,6aS)-4-[Bis-(4-fluoro-phenyl)-methylene]-1,1-bis-(4-fluoro-phenyl)-3-oxo-hexahydro-cyclopenta[c]pyrrole-3a-carboxylic acid amide 4-[bis(4-fluorophenyl)methylene]-1,1-bis(4-fluorophenyl)-3-oxohexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide
Wiley ID 773441