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4-{5-[(1E)-2-cyano-3-(4-methyl-2-nitroanilino)-3-oxo-1-propenyl]-2-furyl}benzoic acid
SpectraBase Compound ID BFCUjcvFyoe
InChI InChI=1S/C22H15N3O6/c1-13-2-8-18(19(10-13)25(29)30)24-21(26)16(12-23)11-17-7-9-20(31-17)14-3-5-15(6-4-14)22(27)28/h2-11H,1H3,(H,24,26)(H,27,28)/b16-11+
InChIKey KGRIITWBRXNYGJ-LFIBNONCSA-N
Mol Weight 417.38 g/mol
Molecular Formula C22H15N3O6
Exact Mass 417.096085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K9OYNh6nojx
Name 4-{5-[(1E)-2-cyano-3-(4-methyl-2-nitroanilino)-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/C22H15N3O6/c1-13-2-8-18(19(10-13)25(29)30)24-21(26)16(12-23)11-17-7-9-20(31-17)14-3-5-15(6-4-14)22(27)28/h2-11H,1H3,(H,24,26)(H,27,28)/b16-11+
InChIKey KGRIITWBRXNYGJ-LFIBNONCSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5230
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: 9682173; UBI_ID: UBI-005232
Synonyms 4-{5-[2-cyano-3-(4-methyl-2-nitroanilino)-3-oxo-1-propenyl]-2-furyl}benzoic acid
Temperature 308 °C