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2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

View entire compound with spectra: 1 NMR

2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 7YSuG4OMM66
InChI InChI=1S/C23H17BrFN3O3/c24-13-5-6-16(15(25)9-13)28-17-2-1-3-18(29)22(17)21(14(10-26)23(28)27)12-4-7-19-20(8-12)31-11-30-19/h4-9,21H,1-3,11,27H2
InChIKey NWFBZXUIYBBVEW-UHFFFAOYSA-N
Mol Weight 482.31 g/mol
Molecular Formula C23H17BrFN3O3
Exact Mass 481.043733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IawR1BN0Qlh
Name 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H17BrFN3O3/c24-13-5-6-16(15(25)9-13)28-17-2-1-3-18(29)22(17)21(14(10-26)23(28)27)12-4-7-19-20(8-12)31-11-30-19/h4-9,21H,1-3,11,27H2
InChIKey NWFBZXUIYBBVEW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17914
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/9081759; UBI_ID: UBI-017917
Temperature 308 °C