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2-amino-1-(4-chlorophenyl)-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 1Cznan9mXqu
InChI InChI=1S/C22H17ClFN3O/c23-14-6-10-16(11-7-14)27-18-2-1-3-19(28)21(18)20(17(12-25)22(27)26)13-4-8-15(24)9-5-13/h4-11,20H,1-3,26H2
InChIKey GMITWKOIYJJJSK-UHFFFAOYSA-N
Mol Weight 393.85 g/mol
Molecular Formula C22H17ClFN3O
Exact Mass 393.104418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4jd3rjjeWBw
Name 2-amino-1-(4-chlorophenyl)-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H17ClFN3O/c23-14-6-10-16(11-7-14)27-18-2-1-3-19(28)21(18)20(17(12-25)22(27)26)13-4-8-15(24)9-5-13/h4-11,20H,1-3,26H2
InChIKey GMITWKOIYJJJSK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17850
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9074641; UBI_ID: UBI-017853
Temperature 308 °C