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3-{(5Z)-5-[4-(methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
SpectraBase Compound ID 3rQLcrvtUM0
InChI InChI=1S/C15H13NO5S2/c1-21-14(20)10-4-2-9(3-5-10)8-11-13(19)16(15(22)23-11)7-6-12(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)/b11-8-
InChIKey AWSDWAJDVYFTCG-FLIBITNWSA-N
Mol Weight 351.39 g/mol
Molecular Formula C15H13NO5S2
Exact Mass 351.023515 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DPRRPgcazZc
Name 3-{(5Z)-5-[4-(methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic 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/C15H13NO5S2/c1-21-14(20)10-4-2-9(3-5-10)8-11-13(19)16(15(22)23-11)7-6-12(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)/b11-8-
InChIKey AWSDWAJDVYFTCG-FLIBITNWSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2725
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: 9312689; UBI_ID: UBI-002726
Synonyms 3-{5-[4-(methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Temperature 313 °C