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2-BENZYL-5-BENZYLCARBAMOYLIMINO-4-PICRYL-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID G3LakvgPF0B
InChI InChI=1S/C23H17N7O8S/c31-21(24-13-15-7-3-1-4-8-15)25-22-27(23(32)26(39-22)14-16-9-5-2-6-10-16)20-18(29(35)36)11-17(28(33)34)12-19(20)30(37)38/h1-12H,13-14H2,(H,24,31)/b25-22-
InChIKey BXGSFCDQQFWWDC-LVWGJNHUSA-N
Mol Weight 551.49 g/mol
Molecular Formula C23H17N7O8S
Exact Mass 551.085932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ef373ko6iua
Name 2-BENZYL-5-BENZYLCARBAMOYLIMINO-4-PICRYL-1,2,4-THIADIAZOLIDIN-3-ONE
Compound Number 9K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17N7O8S
InChI InChI=1S/C23H17N7O8S/c31-21(24-13-15-7-3-1-4-8-15)25-22-27(23(32)26(39-22)14-16-9-5-2-6-10-16)20-18(29(35)36)11-17(28(33)34)12-19(20)30(37)38/h1-12H,13-14H2,(H,24,31)/b25-22-
InChIKey BXGSFCDQQFWWDC-LVWGJNHUSA-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 551.490 g/mol
Solvent DMSO-D6
Source File Reference UWCP3597