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3-thiazolidineacetamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-, (5Z)-
SpectraBase Compound ID 7CUmO6LkzeJ
InChI InChI=1S/C18H17ClN4O2S3/c1-2-3-8-15-21-22-17(28-15)20-14(24)10-23-16(25)13(27-18(23)26)9-11-6-4-5-7-12(11)19/h4-7,9H,2-3,8,10H2,1H3,(H,20,22,24)/b13-9-
InChIKey GFKGPOWELJQAKG-LCYFTJDESA-N
Mol Weight 452.99 g/mol
Molecular Formula C18H17ClN4O2S3
Exact Mass 452.020217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1pJWWlGSkv7
Name 3-thiazolidineacetamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-[(2-chlorophenyl)methylene]-4-oxo-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/C18H17ClN4O2S3/c1-2-3-8-15-21-22-17(28-15)20-14(24)10-23-16(25)13(27-18(23)26)9-11-6-4-5-7-12(11)19/h4-7,9H,2-3,8,10H2,1H3,(H,20,22,24)/b13-9-
InChIKey GFKGPOWELJQAKG-LCYFTJDESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2449
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/11269079