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N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}isonicotinamide
SpectraBase Compound ID IATS4gvdc6c
InChI InChI=1S/C24H27N3O3S2/c1-2-3-4-5-6-7-16-30-20-10-8-18(9-11-20)17-21-23(29)27(24(31)32-21)26-22(28)19-12-14-25-15-13-19/h8-15,17H,2-7,16H2,1H3,(H,26,28)/b21-17-
InChIKey NOJDEBZNDMSVGA-FXBPSFAMSA-N
Mol Weight 469.62 g/mol
Molecular Formula C24H27N3O3S2
Exact Mass 469.149384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8SusP6U332h
Name N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}isonicotinamide
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/C24H27N3O3S2/c1-2-3-4-5-6-7-16-30-20-10-8-18(9-11-20)17-21-23(29)27(24(31)32-21)26-22(28)19-12-14-25-15-13-19/h8-15,17H,2-7,16H2,1H3,(H,26,28)/b21-17-
InChIKey NOJDEBZNDMSVGA-FXBPSFAMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26740
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: D67001; Labnumber: GORPS-076-3695; SBI_ID: SBI-026744
Synonyms N-{5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}isonicotinamide
Temperature 308 °C