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1H-pyrazole-3-acetonitrile, 5-amino-alpha-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-4-cyano-1-(2-hydroxyethyl)-

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1H-pyrazole-3-acetonitrile, 5-amino-alpha-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-4-cyano-1-(2-hydroxyethyl)-
SpectraBase Compound ID 4A1zRKCPM17
InChI InChI=1S/C22H16BrCl2N5O2/c23-16-2-4-20(32-12-13-1-3-17(24)9-19(13)25)14(8-16)7-15(10-26)21-18(11-27)22(28)30(29-21)5-6-31/h1-4,7-9,31H,5-6,12,28H2/b15-7+
InChIKey MXYRLOJMLAOELD-VIZOYTHASA-N
Mol Weight 533.21 g/mol
Molecular Formula C22H16BrCl2N5O2
Exact Mass 530.986443 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5bTulq3Zi6m
Name 1H-pyrazole-3-acetonitrile, 5-amino-alpha-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]-4-cyano-1-(2-hydroxyethyl)-
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/C22H16BrCl2N5O2/c23-16-2-4-20(32-12-13-1-3-17(24)9-19(13)25)14(8-16)7-15(10-26)21-18(11-27)22(28)30(29-21)5-6-31/h1-4,7-9,31H,5-6,12,28H2/b15-7+
InChIKey MXYRLOJMLAOELD-VIZOYTHASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7160
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: ZI/7048656; Labnumber: SAD-E300087; IOH_ID: IOH-014164