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3-(5-{(E)-[(2E)-4-oxo-2-(phenylimino)-3-(3-pyridinylmethyl)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid
SpectraBase Compound ID 84Acp8SvuEx
InChI InChI=1S/C27H19N3O4S/c31-25-24(15-22-11-12-23(34-22)19-7-4-8-20(14-19)26(32)33)35-27(29-21-9-2-1-3-10-21)30(25)17-18-6-5-13-28-16-18/h1-16H,17H2,(H,32,33)/b24-15+,29-27+
InChIKey ZLYWEIVZLOABSE-CSBWODFHSA-N
Mol Weight 481.53 g/mol
Molecular Formula C27H19N3O4S
Exact Mass 481.109627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3qIwbiBpwy
Name 3-(5-{(E)-[(2E)-4-oxo-2-(phenylimino)-3-(3-pyridinylmethyl)-1,3-thiazolidin-5-ylidene]methyl}-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/C27H19N3O4S/c31-25-24(15-22-11-12-23(34-22)19-7-4-8-20(14-19)26(32)33)35-27(29-21-9-2-1-3-10-21)30(25)17-18-6-5-13-28-16-18/h1-16H,17H2,(H,32,33)/b24-15+,29-27+
InChIKey ZLYWEIVZLOABSE-CSBWODFHSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22749
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: D35766; Labnumber: SPABU-2251; SBI_ID: SBI-022753
Synonyms 3-(5-{[4-oxo-2-(phenylimino)-3-(3-pyridinylmethyl)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid
Temperature 306 °C