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4-METHYL-2-(PHENYLSULFONYL)-5-TERT.-BUTYLIMINO-1,2,4-THIADIAZOLIDINE-3-ONE
SpectraBase Compound ID 9C9cCMgcyyk
InChI InChI=1S/C13H17N3O3S2/c1-13(2,3)14-11-15(4)12(17)16(20-11)21(18,19)10-8-6-5-7-9-10/h5-9H,1-4H3/b14-11-
InChIKey JJRJRKRLYKBPKQ-KAMYIIQDSA-N
Mol Weight 327.42 g/mol
Molecular Formula C13H17N3O3S2
Exact Mass 327.071134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8fX0ZOJJr1
Name 4-METHYL-2-(PHENYLSULFONYL)-5-TERT.-BUTYLIMINO-1,2,4-THIADIAZOLIDINE-3-ONE
Compound Number 5S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N3O3S2
InChI InChI=1S/C13H17N3O3S2/c1-13(2,3)14-11-15(4)12(17)16(20-11)21(18,19)10-8-6-5-7-9-10/h5-9H,1-4H3/b14-11-
InChIKey JJRJRKRLYKBPKQ-KAMYIIQDSA-N
Literature Reference Author G.L'ABBE,N.WEYNS,I.SANNEN,P.DELBEKE,S.TOPPET
Literature Reference Citation J.HETCYCL.CHEM.,28,405(1991)
Literature Reference DOI 10.1002/jhet.5570280238
Molecular Weight 327.416 g/mol
Solvent CDCl3
Source File Reference UWCS16880