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TERT.-BUTYL-1-(4-CHLOROPHENYL)-1,2,3-TRIAZOLE-4-CARBODITHIOATE

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TERT.-BUTYL-1-(4-CHLOROPHENYL)-1,2,3-TRIAZOLE-4-CARBODITHIOATE
SpectraBase Compound ID HIE12PUh8EX
InChI InChI=1S/C13H14ClN3S2/c1-13(2,3)19-12(18)11-8-17(16-15-11)10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKey OTHKLVIYHFITBF-UHFFFAOYSA-N
Mol Weight 311.85 g/mol
Molecular Formula C13H14ClN3S2
Exact Mass 311.031768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HX0VEW5fUd
Name TERT.-BUTYL-1-(4-CHLOROPHENYL)-1,2,3-TRIAZOLE-4-CARBODITHIOATE
Compound Number 20G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14ClN3S2
InChI InChI=1S/C13H14ClN3S2/c1-13(2,3)19-12(18)11-8-17(16-15-11)10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKey OTHKLVIYHFITBF-UHFFFAOYSA-N
Literature Reference Author G.LABBE,M.VERBEKE,W.DEHAEN,S.TOPPET
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1719(1993)
Literature Reference DOI 10.1039/p19930001719
Molecular Weight 311.847 g/mol
Solvent CDCl3
Source File Reference UWCP6829