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5-amino-3-((Z)-2-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID FOOzj16BZ3D
InChI InChI=1S/C22H17ClFN5O2/c23-19-2-1-3-20(24)18(19)13-31-16-6-4-14(5-7-16)10-15(11-25)21-17(12-26)22(27)29(28-21)8-9-30/h1-7,10,30H,8-9,13,27H2/b15-10+
InChIKey IGOYNHSEMVUGRN-XNTDXEJSSA-N
Mol Weight 437.86 g/mol
Molecular Formula C22H17ClFN5O2
Exact Mass 437.105481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LlUcy9XLCLZ
Name 5-amino-3-((Z)-2-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
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/C22H17ClFN5O2/c23-19-2-1-3-20(24)18(19)13-31-16-6-4-14(5-7-16)10-15(11-25)21-17(12-26)22(27)29(28-21)8-9-30/h1-7,10,30H,8-9,13,27H2/b15-10+
InChIKey IGOYNHSEMVUGRN-XNTDXEJSSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3681
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/7092526; Labnumber: SAD-e900030; IOH_ID: IOH-003682
Synonyms 5-amino-3-(2-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Temperature 303 °C