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2-{(5Z)-5-[(2E)-2-methyl-3-phenyl-2-propenylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
SpectraBase Compound ID pWLXTvN6YH
InChI InChI=1S/C18H17NO5S2/c1-11(9-12-5-3-2-4-6-12)10-14-16(22)19(18(25)26-14)13(17(23)24)7-8-15(20)21/h2-6,9-10,13H,7-8H2,1H3,(H,20,21)(H,23,24)/b11-9+,14-10-
InChIKey LWJQYUFJHQPXNZ-VDVFTDKOSA-N
Mol Weight 391.46 g/mol
Molecular Formula C18H17NO5S2
Exact Mass 391.054815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9eU1pb1tLiV
Name 2-{(5Z)-5-[(2E)-2-methyl-3-phenyl-2-propenylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic 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/C18H17NO5S2/c1-11(9-12-5-3-2-4-6-12)10-14-16(22)19(18(25)26-14)13(17(23)24)7-8-15(20)21/h2-6,9-10,13H,7-8H2,1H3,(H,20,21)(H,23,24)/b11-9+,14-10-
InChIKey LWJQYUFJHQPXNZ-VDVFTDKOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23731
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: D43256; Labnumber: GORPS-013-5170; SBI_ID: SBI-023735
Synonyms 2-{5-[2-methyl-3-phenyl-2-propenylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Temperature 318 °C