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2-propenamide, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-2-cyano-3-[(3-methoxyphenyl)amino]-N-(phenylmethyl)-, (2E)-
SpectraBase Compound ID 939byJmRgU5
InChI InChI=1S/C25H21ClFN3O2S/c1-32-19-10-5-9-18(13-19)30-25(33-16-21-22(26)11-6-12-23(21)27)20(14-28)24(31)29-15-17-7-3-2-4-8-17/h2-13,30H,15-16H2,1H3,(H,29,31)/b25-20+
InChIKey CATBBYHSPBIVML-LKUDQCMESA-N
Mol Weight 481.97 g/mol
Molecular Formula C25H21ClFN3O2S
Exact Mass 481.102704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jqx0UMge2To
Name 2-propenamide, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-2-cyano-3-[(3-methoxyphenyl)amino]-N-(phenylmethyl)-, (2E)-
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/C25H21ClFN3O2S/c1-32-19-10-5-9-18(13-19)30-25(33-16-21-22(26)11-6-12-23(21)27)20(14-28)24(31)29-15-17-7-3-2-4-8-17/h2-13,30H,15-16H2,1H3,(H,29,31)/b25-20+
InChIKey CATBBYHSPBIVML-LKUDQCMESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7069
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: NMR/10328327