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3-chloro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
SpectraBase Compound ID EDqpxVNl7xX
InChI InChI=1S/C25H27ClN2O3S2/c1-2-3-4-5-6-7-15-31-21-13-11-18(12-14-21)16-22-24(30)28(25(32)33-22)27-23(29)19-9-8-10-20(26)17-19/h8-14,16-17H,2-7,15H2,1H3,(H,27,29)/b22-16-
InChIKey FSAMUJPTSHAWOD-JWGURIENSA-N
Mol Weight 503.08 g/mol
Molecular Formula C25H27ClN2O3S2
Exact Mass 502.115163 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aoacy6xCQfW
Name 3-chloro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
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/C25H27ClN2O3S2/c1-2-3-4-5-6-7-15-31-21-13-11-18(12-14-21)16-22-24(30)28(25(32)33-22)27-23(29)19-9-8-10-20(26)17-19/h8-14,16-17H,2-7,15H2,1H3,(H,27,29)/b22-16-
InChIKey FSAMUJPTSHAWOD-JWGURIENSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2177
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: D01729; Labnumber: GORPS-070-3695; SBI_ID: SBI-002179
Synonyms 3-chloro-N-{5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Temperature 315 °C