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

*Links on SpectraBase are not permalinks.
3-Phenyl-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 2yUw1rzYlfm
InChI InChI=1S/C26H21F3N2O2/c27-26(28,29)33-19-12-10-17(11-13-19)25-24-22(30-20-8-4-5-9-21(20)31-25)14-18(15-23(24)32)16-6-2-1-3-7-16/h1-13,18,25,30-31H,14-15H2
InChIKey DBKGBOJNKQGJII-UHFFFAOYSA-N
Mol Weight 450.46 g/mol
Molecular Formula C26H21F3N2O2
Exact Mass 450.155512 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 9IaGqCeoGd2
Name 3-Phenyl-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 9-Phenyl-6-[4-(trifluoromethoxy)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 9-Phenyl-6-[4-(trifluoromethyloxy)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21F3N2O2
InChI InChI=1S/C26H21F3N2O2/c27-26(28,29)33-19-12-10-17(11-13-19)25-24-22(30-20-8-4-5-9-21(20)31-25)14-18(15-23(24)32)16-6-2-1-3-7-16/h1-13,18,25,30-31H,14-15H2
InChIKey DBKGBOJNKQGJII-UHFFFAOYSA-N
Molecular Weight 450.461 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccccc1)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-000i-3982000000-89ff21366d8b45937643
Wiley ID 1455040