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4-{(E)-[(2Z)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
SpectraBase Compound ID 5W1UP9udQTs
InChI InChI=1S/C27H21N3O3S/c31-25-24(16-18-10-12-19(13-11-18)26(32)33)34-27(29-21-6-2-1-3-7-21)30(25)15-14-20-17-28-23-9-5-4-8-22(20)23/h1-13,16-17,28H,14-15H2,(H,32,33)/b24-16+,29-27-
InChIKey GZYUGJCRUVPNRJ-ZQUZUHTASA-N
Mol Weight 467.54 g/mol
Molecular Formula C27H21N3O3S
Exact Mass 467.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4fiI3b8EVzd
Name 4-{(E)-[(2Z)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}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/C27H21N3O3S/c31-25-24(16-18-10-12-19(13-11-18)26(32)33)34-27(29-21-6-2-1-3-7-21)30(25)15-14-20-17-28-23-9-5-4-8-22(20)23/h1-13,16-17,28H,14-15H2,(H,32,33)/b24-16+,29-27-
InChIKey GZYUGJCRUVPNRJ-ZQUZUHTASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11867
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: 1003499; UBI_ID: UBI-011870
Synonyms 4-{[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Temperature 318 °C