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2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinic acid
SpectraBase Compound ID A2WJ04xNiHM
InChI InChI=1S/C22H27NO6S2/c1-2-3-4-5-6-7-12-29-16-10-8-15(9-11-16)13-18-20(26)23(22(30)31-18)17(21(27)28)14-19(24)25/h8-11,13,17H,2-7,12,14H2,1H3,(H,24,25)(H,27,28)/b18-13-
InChIKey YKILIQBGTYHWNK-AQTBWJFISA-N
Mol Weight 465.58 g/mol
Molecular Formula C22H27NO6S2
Exact Mass 465.12798 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ChnBsnDjNy1
Name 2-{(5Z)-5-[4-(octyloxy)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/C22H27NO6S2/c1-2-3-4-5-6-7-12-29-16-10-8-15(9-11-16)13-18-20(26)23(22(30)31-18)17(21(27)28)14-19(24)25/h8-11,13,17H,2-7,12,14H2,1H3,(H,24,25)(H,27,28)/b18-13-
InChIKey YKILIQBGTYHWNK-AQTBWJFISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23717
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: D43242; Labnumber: GORPS-012-3695; SBI_ID: SBI-023721
Synonyms 2-{5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}succinic acid
Temperature 318 °C