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3-pyridinecarbonitrile, 5-[[(3-chloro-4-fluorophenyl)amino]methylene]-1,2,5,6-tetrahydro-4-methyl-1-[2-(4-morpholinyl)ethyl]-2,6-dioxo-, (5Z)-

View entire compound with spectra: 1 NMR

3-pyridinecarbonitrile, 5-[[(3-chloro-4-fluorophenyl)amino]methylene]-1,2,5,6-tetrahydro-4-methyl-1-[2-(4-morpholinyl)ethyl]-2,6-dioxo-, (5Z)-
SpectraBase Compound ID L2C0KnsrOQo
InChI InChI=1S/C20H20ClFN4O3/c1-13-15(11-23)19(27)26(5-4-25-6-8-29-9-7-25)20(28)16(13)12-24-14-2-3-18(22)17(21)10-14/h2-3,10,12,24H,4-9H2,1H3/b16-12-
InChIKey PAOFYCUTLWGHMF-VBKFSLOCSA-N
Mol Weight 418.86 g/mol
Molecular Formula C20H20ClFN4O3
Exact Mass 418.120796 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OYFNBZZZZq
Name 3-pyridinecarbonitrile, 5-[[(3-chloro-4-fluorophenyl)amino]methylene]-1,2,5,6-tetrahydro-4-methyl-1-[2-(4-morpholinyl)ethyl]-2,6-dioxo-, (5Z)-
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/C20H20ClFN4O3/c1-13-15(11-23)19(27)26(5-4-25-6-8-29-9-7-25)20(28)16(13)12-24-14-2-3-18(22)17(21)10-14/h2-3,10,12,24H,4-9H2,1H3/b16-12-
InChIKey PAOFYCUTLWGHMF-VBKFSLOCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6148
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: F27324; Labnumber: ExLab-216213