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2-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]pentanedioic acid
SpectraBase Compound ID 8dhEmnsIIta
InChI InChI=1S/C18H19NO8S2/c1-25-11-6-9(7-12(26-2)15(11)27-3)8-13-16(22)19(18(28)29-13)10(17(23)24)4-5-14(20)21/h6-8,10H,4-5H2,1-3H3,(H,20,21)(H,23,24)/b13-8-
InChIKey XDTXRSLRTGBQNY-JYRVWZFOSA-N
Mol Weight 441.47 g/mol
Molecular Formula C18H19NO8S2
Exact Mass 441.055209 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HpMAQzDjBQY
Name 2-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-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/C18H19NO8S2/c1-25-11-6-9(7-12(26-2)15(11)27-3)8-13-16(22)19(18(28)29-13)10(17(23)24)4-5-14(20)21/h6-8,10H,4-5H2,1-3H3,(H,20,21)(H,23,24)/b13-8-
InChIKey XDTXRSLRTGBQNY-JYRVWZFOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23724
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: D43249; Labnumber: GORPS-013-4686; SBI_ID: SBI-023728
Synonyms 2-[4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]pentanedioic acid
Temperature 318 °C