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5-BENZYLCARBAMOYLIMINO-2-(PARA-NITROPHENYL)-4-PHENYL-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID 2tRDQIOEsKi
InChI InChI=1S/C22H17N5O4S/c28-20(23-15-16-7-3-1-4-8-16)24-21-25(17-9-5-2-6-10-17)22(29)26(32-21)18-11-13-19(14-12-18)27(30)31/h1-14H,15H2,(H,23,28)/b24-21-
InChIKey PJGFRGVMWSOTCC-FLFQWRMESA-N
Mol Weight 447.47 g/mol
Molecular Formula C22H17N5O4S
Exact Mass 447.100125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGJOQYQIK7l
Name 5-BENZYLCARBAMOYLIMINO-2-(PARA-NITROPHENYL)-4-PHENYL-1,2,4-THIADIAZOLIDIN-3-ONE
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17N5O4S
InChI InChI=1S/C22H17N5O4S/c28-20(23-15-16-7-3-1-4-8-16)24-21-25(17-9-5-2-6-10-17)22(29)26(32-21)18-11-13-19(14-12-18)27(30)31/h1-14H,15H2,(H,23,28)/b24-21-
InChIKey PJGFRGVMWSOTCC-FLFQWRMESA-N
Literature Reference Author G.L'ABBE,E.ALBRECHT,S.TOPPET
Literature Reference Citation J.HETCYCL.CHEM.,28,1619(1991)
Literature Reference DOI 10.1002/jhet.5570280627
Molecular Weight 447.468 g/mol
Solvent CDCl3
Source File Reference UWCP3587