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4-{3-[(1Z)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID GeBkuOqDeqq
InChI InChI=1S/C24H21N3O3/c1-15-5-4-6-21(11-15)26-23(28)20(14-25)13-19-12-16(2)27(17(19)3)22-9-7-18(8-10-22)24(29)30/h4-13H,1-3H3,(H,26,28)(H,29,30)/b20-13-
InChIKey LWNLJVFDMMSLTF-MOSHPQCFSA-N
Mol Weight 399.45 g/mol
Molecular Formula C24H21N3O3
Exact Mass 399.158292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FFNA87kBVDa
Name 4-{3-[(1Z)-2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}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/C24H21N3O3/c1-15-5-4-6-21(11-15)26-23(28)20(14-25)13-19-12-16(2)27(17(19)3)22-9-7-18(8-10-22)24(29)30/h4-13H,1-3H3,(H,26,28)(H,29,30)/b20-13-
InChIKey LWNLJVFDMMSLTF-MOSHPQCFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11840
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: 9674162; UBI_ID: UBI-011843
Synonyms 4-{3-[2-cyano-3-oxo-3-(3-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Temperature 318 °C