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4-thiazolidinone, 5-(3-cyclohexen-1-ylmethylene)-3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-thioxo-, (5E)-

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4-thiazolidinone, 5-(3-cyclohexen-1-ylmethylene)-3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-thioxo-, (5E)-
SpectraBase Compound ID 1SaEwgM0p0H
InChI InChI=1S/C21H21N3O2S2/c1-14-18(20(26)24(22(14)2)16-11-7-4-8-12-16)23-19(25)17(28-21(23)27)13-15-9-5-3-6-10-15/h3-5,7-8,11-13,15H,6,9-10H2,1-2H3/b17-13+
InChIKey MKIGVKWUTCNDLG-GHRIWEEISA-N
Mol Weight 411.54 g/mol
Molecular Formula C21H21N3O2S2
Exact Mass 411.107519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EoI8PXPGZZH
Name 4-thiazolidinone, 5-(3-cyclohexen-1-ylmethylene)-3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-thioxo-, (5E)-
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/C21H21N3O2S2/c1-14-18(20(26)24(22(14)2)16-11-7-4-8-12-16)23-19(25)17(28-21(23)27)13-15-9-5-3-6-10-15/h3-5,7-8,11-13,15H,6,9-10H2,1-2H3/b17-13+
InChIKey MKIGVKWUTCNDLG-GHRIWEEISA-N
NMR Offset 16.2999
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2282
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/9248496
Temperature 303 °C