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5-ETHOXYCARBONYL-5-ETYHL-2-PHENYL-[1,2,4]-TRIAZOLIDINE-3-THIONE
SpectraBase Compound ID FeJHGsRV2BQ
InChI InChI=1S/C13H17N3O2S/c1-3-13(11(17)18-4-2)14-12(19)16(15-13)10-8-6-5-7-9-10/h5-9,15H,3-4H2,1-2H3,(H,14,19)
InChIKey GSGYQJQPTWNHCC-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C13H17N3O2S
Exact Mass 279.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVwMdniXkuI
Name 5-ETHOXYCARBONYL-5-ETYHL-2-PHENYL-[1,2,4]-TRIAZOLIDINE-3-THIONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N3O2S
InChI InChI=1S/C13H17N3O2S/c1-3-13(11(17)18-4-2)14-12(19)16(15-13)10-8-6-5-7-9-10/h5-9,15H,3-4H2,1-2H3,(H,14,19)
InChIKey GSGYQJQPTWNHCC-UHFFFAOYSA-N
Literature Reference Author J.G.SCHANTL,S.LANG,K.WURST
Literature Reference Citation HETEROCYCLES,50,251(1999)
Literature Reference DOI 10.3987/COM-98-S(H)35
Molecular Weight 279.357 g/mol
Solvent DMSO-D6
Source File Reference UWGE6074