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4-{5-[(1Z)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}-3-methylbenzoic acid
SpectraBase Compound ID KRGcWWByz6q
InChI InChI=1S/C22H15ClN2O4/c1-13-10-14(22(27)28)2-8-19(13)20-9-7-18(29-20)11-15(12-24)21(26)25-17-5-3-16(23)4-6-17/h2-11H,1H3,(H,25,26)(H,27,28)/b15-11-
InChIKey BJYXEBLLOMWRBF-PTNGSMBKSA-N
Mol Weight 406.83 g/mol
Molecular Formula C22H15ClN2O4
Exact Mass 406.072035 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EXSKPFydefG
Name 4-{5-[(1Z)-3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}-3-methylbenzoic 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/C22H15ClN2O4/c1-13-10-14(22(27)28)2-8-19(13)20-9-7-18(29-20)11-15(12-24)21(26)25-17-5-3-16(23)4-6-17/h2-11H,1H3,(H,25,26)(H,27,28)/b15-11-
InChIKey BJYXEBLLOMWRBF-PTNGSMBKSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_2783
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/1010015; Labnumber: ARF3738; UZI_ID: UZI-002785
Synonyms 4-{5-[3-(4-chloroanilino)-2-cyano-3-oxo-1-propenyl]-2-furyl}-3-methylbenzoic acid
Temperature 300 °C