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5-Ethoxycarbonyl-5-methyl-2-phenyl[1,2,4]triazolidine-3-thione
SpectraBase Compound ID 8PMCFj8V9mR
InChI InChI=1S/C12H15N3O2S/c1-3-17-10(16)12(2)13-11(18)15(14-12)9-7-5-4-6-8-9/h4-8,14H,3H2,1-2H3,(H,13,18)
InChIKey IQRCMENNBKYRNM-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C12H15N3O2S
Exact Mass 265.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ImzSvpsKSp
Name 5-ETHOXYCARBONYL-5-METHYL-2-PHENYL-[1,2,4]-TRIAZOLIDINE-3-THIONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N3O2S
InChI InChI=1S/C12H15N3O2S/c1-3-17-10(16)12(2)13-11(18)15(14-12)9-7-5-4-6-8-9/h4-8,14H,3H2,1-2H3,(H,13,18)
InChIKey IQRCMENNBKYRNM-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 265.330 g/mol
Solvent DMSO-D6
Source File Reference UWGE6073