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2-[(5Z)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
SpectraBase Compound ID 7aQ87a3nAud
InChI InChI=1S/C17H17NO7S2/c1-24-10-3-5-12(25-2)9(7-10)8-13-15(21)18(17(26)27-13)11(16(22)23)4-6-14(19)20/h3,5,7-8,11H,4,6H2,1-2H3,(H,19,20)(H,22,23)/b13-8-
InChIKey CWFWMADDZJOMPV-JYRVWZFOSA-N
Mol Weight 411.44 g/mol
Molecular Formula C17H17NO7S2
Exact Mass 411.044644 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IMg3awlde7z
Name 2-[(5Z)-5-(2,5-dimethoxybenzylidene)-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/C17H17NO7S2/c1-24-10-3-5-12(25-2)9(7-10)8-13-15(21)18(17(26)27-13)11(16(22)23)4-6-14(19)20/h3,5,7-8,11H,4,6H2,1-2H3,(H,19,20)(H,22,23)/b13-8-
InChIKey CWFWMADDZJOMPV-JYRVWZFOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23730
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: D43255; Labnumber: GORPS-013-5158; SBI_ID: SBI-023734
Synonyms 2-[5-(2,5-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Temperature 318 °C