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(2Z)-ETHYL-2-[[1-(PYRIDINE-3-YL)-ETHYLIDENEAMINOCARBAMOYL]-(CYANO)-METHYLENE]-4-CYANO-3-PHENYLTHIAZOLIDINE-4-CARBOXYLATE
SpectraBase Compound ID KGAVVBNtHWQ
InChI InChI=1S/C23H20N6O3S/c1-3-32-22(31)23(14-25)15-33-21(29(23)18-9-5-4-6-10-18)19(12-24)20(30)28-27-16(2)17-8-7-11-26-13-17/h4-11,13H,3,15H2,1-2H3,(H,28,30)/b21-19-,27-16-
InChIKey OIKWYXFFHYKHOV-PJODTRSKSA-N
Mol Weight 460.51 g/mol
Molecular Formula C23H20N6O3S
Exact Mass 460.13176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mnmOl4CEkb
Name (2Z)-ETHYL-2-[[1-(PYRIDINE-3-YL)-ETHYLIDENEAMINOCARBAMOYL]-(CYANO)-METHYLENE]-4-CYANO-3-PHENYLTHIAZOLIDINE-4-CARBOXYLATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20N6O3S
InChI InChI=1S/C23H20N6O3S/c1-3-32-22(31)23(14-25)15-33-21(29(23)18-9-5-4-6-10-18)19(12-24)20(30)28-27-16(2)17-8-7-11-26-13-17/h4-11,13H,3,15H2,1-2H3,(H,28,30)/b21-19-,27-16-
InChIKey OIKWYXFFHYKHOV-PJODTRSKSA-N
Literature Reference Author R.M.MOHAREB,D.H.FLEITA,O.K.SAKKA
Literature Reference Citation MOLECULES,16,16(2011)
Literature Reference DOI 10.3390/molecules16010016
Molecular Weight 460.510 g/mol
Sample ID 72820
Solvent DMSO-D6