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1-BENZYLIDENEAMINO-2-METHYLTHIO-4-PHENYL-5-(4-PHENYL-3,5-DIOXO-1,2,4-TRIAZOLIDIN-1-YL)-1-IMIDAZOLE
SpectraBase Compound ID DPyxyFxUkIh
InChI InChI=1S/C25H20N6O2S/c1-34-24-27-21(19-13-7-3-8-14-19)22(30(24)26-17-18-11-5-2-6-12-18)31-25(33)29(23(32)28-31)20-15-9-4-10-16-20/h2-17H,1H3,(H,28,32)/b26-17+
InChIKey MXYIWOCVKMNJEP-YZSQISJMSA-N
Mol Weight 468.54 g/mol
Molecular Formula C25H20N6O2S
Exact Mass 468.136845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImLa4EiEcf2
Name 1-BENZYLIDENEAMINO-2-METHYLTHIO-4-PHENYL-5-(4-PHENYL-3,5-DIOXO-1,2,4-TRIAZOLIDIN-1-YL)-1-IMIDAZOLE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H20N6O2S
InChI InChI=1S/C25H20N6O2S/c1-34-24-27-21(19-13-7-3-8-14-19)22(30(24)26-17-18-11-5-2-6-12-18)31-25(33)29(23(32)28-31)20-15-9-4-10-16-20/h2-17H,1H3,(H,28,32)/b26-17+
InChIKey MXYIWOCVKMNJEP-YZSQISJMSA-N
Literature Reference Author C.YAMAZAKI,H.ARIMA,S.UDAGAWA
Literature Reference Citation J.HETCYCL.CHEM.,33,41(1996)
Literature Reference DOI 10.1002/jhet.5570330107
Molecular Weight 468.533 g/mol
Solvent CDCl3
Source File Reference UWCS20914