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2-{(5Z)-5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinic acid
SpectraBase Compound ID Fum8UpJLyYD
InChI InChI=1S/C17H15NO6S2/c1-2-7-24-11-5-3-10(4-6-11)8-13-15(21)18(17(25)26-13)12(16(22)23)9-14(19)20/h2-6,8,12H,1,7,9H2,(H,19,20)(H,22,23)/b13-8-
InChIKey KQAKDTBRXOPAPB-JYRVWZFOSA-N
Mol Weight 393.43 g/mol
Molecular Formula C17H15NO6S2
Exact Mass 393.03408 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hs79fBdsrHc
Name 2-{(5Z)-5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinic 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/C17H15NO6S2/c1-2-7-24-11-5-3-10(4-6-11)8-13-15(21)18(17(25)26-13)12(16(22)23)9-14(19)20/h2-6,8,12H,1,7,9H2,(H,19,20)(H,22,23)/b13-8-
InChIKey KQAKDTBRXOPAPB-JYRVWZFOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23719
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: D43244; Labnumber: GORPS-012-5073; SBI_ID: SBI-023723
Synonyms 2-{5-[4-(allyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinic acid
Temperature 318 °C