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3-{[(2E,5Z)-3-methyl-4-oxo-5-(3-pyridinylmethylene)-1,3-thiazolidin-2-ylidene]amino}benzoic acid
SpectraBase Compound ID BNp9jv9da0
InChI InChI=1S/C17H13N3O3S/c1-20-15(21)14(8-11-4-3-7-18-10-11)24-17(20)19-13-6-2-5-12(9-13)16(22)23/h2-10H,1H3,(H,22,23)/b14-8-,19-17+
InChIKey LUYRKZQQVYTULD-ZOBMXMCISA-N
Mol Weight 339.37 g/mol
Molecular Formula C17H13N3O3S
Exact Mass 339.067762 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6bBqyqhjSU2
Name 3-{[(2E,5Z)-3-methyl-4-oxo-5-(3-pyridinylmethylene)-1,3-thiazolidin-2-ylidene]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/C17H13N3O3S/c1-20-15(21)14(8-11-4-3-7-18-10-11)24-17(20)19-13-6-2-5-12(9-13)16(22)23/h2-10H,1H3,(H,22,23)/b14-8-,19-17+
InChIKey LUYRKZQQVYTULD-ZOBMXMCISA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7282
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: D29023; Labnumber: SPABU-2663; SBI_ID: SBI-007285
Synonyms 3-{[3-methyl-4-oxo-5-(3-pyridinylmethylene)-1,3-thiazolidin-2-ylidene]amino}benzoic acid
Temperature 306 °C