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4-(PARA-NITROPHENYL)-2-PHENYL-5-PHENYLCARBAMOYLIMINO-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID FDr8O3muAKM
InChI InChI=1S/C21H15N5O4S/c27-19(22-15-7-3-1-4-8-15)23-20-24(16-11-13-18(14-12-16)26(29)30)21(28)25(31-20)17-9-5-2-6-10-17/h1-14H,(H,22,27)/b23-20-
InChIKey BNOLMNFZJUVGFA-ATJXCDBQSA-N
Mol Weight 433.44 g/mol
Molecular Formula C21H15N5O4S
Exact Mass 433.084475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAmoE8hrRK8
Name 4-(PARA-NITROPHENYL)-2-PHENYL-5-PHENYLCARBAMOYLIMINO-1,2,4-THIADIAZOLIDIN-3-ONE
Compound Number 9J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N5O4S
InChI InChI=1S/C21H15N5O4S/c27-19(22-15-7-3-1-4-8-15)23-20-24(16-11-13-18(14-12-16)26(29)30)21(28)25(31-20)17-9-5-2-6-10-17/h1-14H,(H,22,27)/b23-20-
InChIKey BNOLMNFZJUVGFA-ATJXCDBQSA-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 433.441 g/mol
Solvent DMSO-D6
Source File Reference UWCP3596