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3-thiazolidinebutanoic acid, 4-oxo-5-[[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-2-thioxo-, (5Z)-
SpectraBase Compound ID JorWf39Ddwo
InChI InChI=1S/C21H17N3O3S3/c25-18(26)9-4-10-23-20(27)17(30-21(23)28)12-14-13-24(15-6-2-1-3-7-15)22-19(14)16-8-5-11-29-16/h1-3,5-8,11-13H,4,9-10H2,(H,25,26)/b17-12-
InChIKey RJQCDBSTSVHQLN-ATVHPVEESA-N
Mol Weight 455.57 g/mol
Molecular Formula C21H17N3O3S3
Exact Mass 455.043205 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K0LPSjrnLav
Name 3-thiazolidinebutanoic acid, 4-oxo-5-[[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methylene]-2-thioxo-, (5Z)-
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/C21H17N3O3S3/c25-18(26)9-4-10-23-20(27)17(30-21(23)28)12-14-13-24(15-6-2-1-3-7-15)22-19(14)16-8-5-11-29-16/h1-3,5-8,11-13H,4,9-10H2,(H,25,26)/b17-12-
InChIKey RJQCDBSTSVHQLN-ATVHPVEESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1835
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: NMR/11268205