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

*Links on SpectraBase are not permalinks.
4-[2,6-bis(fluoranyl)phenyl]carbonyl-7-chloranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID KyIVrAF03pQ
InChI InChI=1S/C22H14ClF3N2O2/c23-13-6-9-18-15(10-13)21(12-4-7-14(24)8-5-12)28(11-19(29)27-18)22(30)20-16(25)2-1-3-17(20)26/h1-10,21H,11H2,(H,27,29)
InChIKey GLWULGJECDHKAG-UHFFFAOYSA-N
Mol Weight 430.81 g/mol
Molecular Formula C22H14ClF3N2O2
Exact Mass 430.06959 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 5LkLFS5rYl6
Name 4-[2,6-bis(fluoranyl)phenyl]carbonyl-7-chloranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14ClF3N2O2
InChI InChI=1S/C22H14ClF3N2O2/c23-13-6-9-18-15(10-13)21(12-4-7-14(24)8-5-12)28(11-19(29)27-18)22(30)20-16(25)2-1-3-17(20)26/h1-10,21H,11H2,(H,27,29)
InChIKey GLWULGJECDHKAG-UHFFFAOYSA-N
Molecular Weight 430.814 g/mol
SMILES N1c2c(C(N(CC1=O)C(c1c(F)cccc1F)=O)c1ccc(cc1)F)cc(cc2)Cl
SPLASH splash10-006x-1790000000-607172c9a641dc5968f6
Synonyms 7-Chloro-4-(2,6-difluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one 7-Chloro-4-[(2,6-difluorophenyl)-oxomethyl]-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Wiley ID 1444899