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2-{[(2E)-2-cyano-3-(3-pyridinyl)-2-propenoyl]amino}benzoic acid
SpectraBase Compound ID H5We48I4YUk
InChI InChI=1S/C16H11N3O3/c17-9-12(8-11-4-3-7-18-10-11)15(20)19-14-6-2-1-5-13(14)16(21)22/h1-8,10H,(H,19,20)(H,21,22)/b12-8+
InChIKey TYSPKTQSWCOPEQ-XYOKQWHBSA-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 G7VQfxdULDb
Name 2-{[(2E)-2-cyano-3-(3-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/c17-9-12(8-11-4-3-7-18-10-11)15(20)19-14-6-2-1-5-13(14)16(21)22/h1-8,10H,(H,19,20)(H,21,22)/b12-8+
InChIKey TYSPKTQSWCOPEQ-XYOKQWHBSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12305
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: 1000405; UBI_ID: UBI-012308
Synonyms 2-{[2-cyano-3-(3-pyridinyl)-2-propenoyl]amino}benzoic acid
Temperature 315 °C