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4-PICRYL-2-PHENYL-5-PHENYLCARBAMOYLIMINO-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID 1OoDJwZsHzf
InChI InChI=1S/C21H13N7O8S/c29-19(22-13-7-3-1-4-8-13)23-20-24(21(30)25(37-20)14-9-5-2-6-10-14)18-16(27(33)34)11-15(26(31)32)12-17(18)28(35)36/h1-12H,(H,22,29)/b23-20-
InChIKey DUGBIDJBEDIKAD-ATJXCDBQSA-N
Mol Weight 523.44 g/mol
Molecular Formula C21H13N7O8S
Exact Mass 523.054632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5r1pCrlWml
Name 4-PICRYL-2-PHENYL-5-PHENYLCARBAMOYLIMINO-1,2,4-THIADIAZOLIDIN-3-ONE
Compound Number 9M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H13N7O8S
InChI InChI=1S/C21H13N7O8S/c29-19(22-13-7-3-1-4-8-13)23-20-24(21(30)25(37-20)14-9-5-2-6-10-14)18-16(27(33)34)11-15(26(31)32)12-17(18)28(35)36/h1-12H,(H,22,29)/b23-20-
InChIKey DUGBIDJBEDIKAD-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 523.436 g/mol
Solvent CDCl3
Source File Reference UWCP3598