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1-ETHOXYCARBONYL-2,3-DIHYDRO-5-METHYL-2-PHENYL-1H-[1,2,4]-TRIAZOLE-3-THIONE
SpectraBase Compound ID EktVlbrOlbd
InChI InChI=1S/C12H13N3O2S/c1-3-17-12(16)14-9(2)13-11(18)15(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey ULPHAUBHYXBTCY-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZJGCAndWrg
Name 1-ETHOXYCARBONYL-2,3-DIHYDRO-5-METHYL-2-PHENYL-1H-[1,2,4]-TRIAZOLE-3-THIONE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-3-17-12(16)14-9(2)13-11(18)15(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey ULPHAUBHYXBTCY-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 263.314 g/mol
Solvent DMSO-D6
Source File Reference UWGE6077