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3-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid
SpectraBase Compound ID Io6XV6SlgBM
InChI InChI=1S/C15H15NO5S2/c1-20-10-5-3-4-9(13(10)21-2)8-11-14(19)16(15(22)23-11)7-6-12(17)18/h3-5,8H,6-7H2,1-2H3,(H,17,18)/b11-8-
InChIKey WBJNKIGKWHXRGD-FLIBITNWSA-N
Mol Weight 353.41 g/mol
Molecular Formula C15H15NO5S2
Exact Mass 353.039165 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6BJaH1Wjap5
Name 3-thiazolidinepropanoic acid, 5-[(2,3-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-, (5Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.039164930 u
Formula C15H15NO5S2
InChI InChI=1S/C15H15NO5S2/c1-20-10-5-3-4-9(13(10)21-2)8-11-14(19)16(15(22)23-11)7-6-12(17)18/h3-5,8H,6-7H2,1-2H3,(H,17,18)/b11-8-
InChIKey WBJNKIGKWHXRGD-FLIBITNWSA-N
Molecular Weight 353.407 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7011
Solvent DMSO-d6
Source Vendor ID: NMR/10220574; Lab Info: LP; Lab Number: LP-0801354
Temperature 29.85 °C