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4-chloro-3-{5-[(1Z)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid
SpectraBase Compound ID 5C9i8KnvH3u
InChI InChI=1S/C21H12Cl2N2O4/c22-14-2-4-15(5-3-14)25-20(26)13(11-24)9-16-6-8-19(29-16)17-10-12(21(27)28)1-7-18(17)23/h1-10H,(H,25,26)(H,27,28)/b13-9-
InChIKey GZCLRIPZOHBYEQ-LCYFTJDESA-N
Mol Weight 427.24 g/mol
Molecular Formula C21H12Cl2N2O4
Exact Mass 426.017412 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AoQhXXshwBg
Name 4-chloro-3-{5-[(1Z)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid
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/C21H12Cl2N2O4/c22-14-2-4-15(5-3-14)25-20(26)13(11-24)9-16-6-8-19(29-16)17-10-12(21(27)28)1-7-18(17)23/h1-10H,(H,25,26)(H,27,28)/b13-9-
InChIKey GZCLRIPZOHBYEQ-LCYFTJDESA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_2782
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/1010933; Labnumber: ARF3737; UZI_ID: UZI-002784
Synonyms 4-chloro-3-{5-[3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature 300 °C