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2-[5-(4-METHOXYBENZYLIDENE)-4-OXO-3-PHENYL-THIAZOLIDIN-2-YLIDENE]-3-OXO-3-PIPERIDIN-1-YL-PROPIONITRILE
SpectraBase Compound ID 9QQ4MlVJPWg
InChI InChI=1S/C25H23N3O3S/c1-31-20-12-10-18(11-13-20)16-22-24(30)28(19-8-4-2-5-9-19)25(32-22)21(17-26)23(29)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b22-16-,25-21-
InChIKey FJCZZWDHPVUPGE-RKXACLNXSA-N
Mol Weight 445.54 g/mol
Molecular Formula C25H23N3O3S
Exact Mass 445.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWtxaS8I3s8
Name 2-[5-(4-METHOXYBENZYLIDENE)-4-OXO-3-PHENYL-THIAZOLIDIN-2-YLIDENE]-3-OXO-3-PIPERIDIN-1-YL-PROPIONITRILE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23N3O3S
InChI InChI=1S/C25H23N3O3S/c1-31-20-12-10-18(11-13-20)16-22-24(30)28(19-8-4-2-5-9-19)25(32-22)21(17-26)23(29)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b22-16-,25-21-
InChIKey FJCZZWDHPVUPGE-RKXACLNXSA-N
Literature Reference Author M.M.HANNA,R.F.GEORGE
Literature Reference Citation CHEM.PHARM.BULL.,60,1195(2012)
Literature Reference DOI 10.1248/cpb.c12-00498
Molecular Weight 445.536 g/mol
Source File Reference UWBT4726