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1-Ethoxycarbonyl-5-ethyl-2,3-dihydro-2-phenyl-1H-[1,2,4]triazole-3-thione
SpectraBase Compound ID EqihSdjufGM
InChI InChI=1S/C13H15N3O2S/c1-3-11-14-12(19)15(10-8-6-5-7-9-10)16(11)13(17)18-4-2/h5-9H,3-4H2,1-2H3
InChIKey ZHLSUMHZFDPVIK-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C13H15N3O2S
Exact Mass 277.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rL91N0XXrR
Name 1-ETHOXYCARBONYL-5-ETHYL-2,3-DIHYDRO-2-PHENYL-1H-[1,2,4]-TRIAZOLE-3-THIONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15N3O2S
InChI InChI=1S/C13H15N3O2S/c1-3-11-14-12(19)15(10-8-6-5-7-9-10)16(11)13(17)18-4-2/h5-9H,3-4H2,1-2H3
InChIKey ZHLSUMHZFDPVIK-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 277.341 g/mol
Solvent DMSO-D6
Source File Reference UWGE6078