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4-{[(2E)-2-cyano-3-(4-pyridinyl)-2-propenoyl]amino}benzoic acid
SpectraBase Compound ID D5ynJ4jVP19
InChI InChI=1S/C16H11N3O3/c17-10-13(9-11-5-7-18-8-6-11)15(20)19-14-3-1-12(2-4-14)16(21)22/h1-9H,(H,19,20)(H,21,22)/b13-9+
InChIKey DAPOYJIFWKNPKP-UKTHLTGXSA-N
Mol Weight 293.28 g/mol
Molecular Formula C16H11N3O3
Exact Mass 293.080041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HfJKX2enYOo
Name 4-{[(2E)-2-cyano-3-(4-pyridinyl)-2-propenoyl]amino}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/C16H11N3O3/c17-10-13(9-11-5-7-18-8-6-11)15(20)19-14-3-1-12(2-4-14)16(21)22/h1-9H,(H,19,20)(H,21,22)/b13-9+
InChIKey DAPOYJIFWKNPKP-UKTHLTGXSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12260
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: 1002761; UBI_ID: UBI-012263
Synonyms 4-{[2-cyano-3-(4-pyridinyl)-2-propenoyl]amino}benzoic acid
Temperature 313 °C