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1-Ethoxycarbonyl-2,3-dihydro-2,5-diphenyl-1H-[1,2,4]triazole-3-thione
SpectraBase Compound ID 1X31Zqzaqn9
InChI InChI=1S/C17H15N3O2S/c1-2-22-17(21)20-15(13-9-5-3-6-10-13)18-16(23)19(20)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey QVLHZQQMRGZQET-UHFFFAOYSA-N
Mol Weight 325.39 g/mol
Molecular Formula C17H15N3O2S
Exact Mass 325.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMcpul41VI2
Name 1-ETHOXYCARBONYL-2,3-DIHYDRO-2,5-DIPHENYL-1H-[1,2,4]-TRIAZOLE-3-THIONE
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15N3O2S
InChI InChI=1S/C17H15N3O2S/c1-2-22-17(21)20-15(13-9-5-3-6-10-13)18-16(23)19(20)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey QVLHZQQMRGZQET-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 325.385 g/mol
Solvent DMSO-D6
Source File Reference UWGE6080