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4-{5-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid
SpectraBase Compound ID B62RgDSOrp6
InChI InChI=1S/C15H10N2O4/c16-8-11(14(17)18)7-12-5-6-13(21-12)9-1-3-10(4-2-9)15(19)20/h1-7H,(H2,17,18)(H,19,20)/b11-7+
InChIKey DWCDKJRRKOEGPC-YRNVUSSQSA-N
Mol Weight 282.25 g/mol
Molecular Formula C15H10N2O4
Exact Mass 282.064057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Ail3ZeOrmY
Name 4-{5-[(1E)-3-amino-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/C15H10N2O4/c16-8-11(14(17)18)7-12-5-6-13(21-12)9-1-3-10(4-2-9)15(19)20/h1-7H,(H2,17,18)(H,19,20)/b11-7+
InChIKey DWCDKJRRKOEGPC-YRNVUSSQSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21232
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/9681505; UBI_ID: UBI-021236
Synonyms 4-{5-[3-amino-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature 308 °C