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1-(2-HYDROXY-3-IODO-5-METHYLPHENYL)-1-OXOBUTAN-2-YL-PIPERIDINE-1-CARBODITHIOATE
SpectraBase Compound ID 4dWZqBdSWhi
InChI InChI=1S/C17H22INO2S2/c1-3-14(23-17(22)19-7-5-4-6-8-19)16(21)12-9-11(2)10-13(18)15(12)20/h9-10,14,20H,3-8H2,1-2H3
InChIKey SOPDPPRFFRYGFY-UHFFFAOYSA-N
Mol Weight 463.39 g/mol
Molecular Formula C17H22INO2S2
Exact Mass 463.013666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZVhwrNlx3Q
Name 1-(2-HYDROXY-3-IODO-5-METHYLPHENYL)-1-OXOBUTAN-2-YL-PIPERIDINE-1-CARBODITHIOATE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22INO2S2
InChI InChI=1S/C17H22INO2S2/c1-3-14(23-17(22)19-7-5-4-6-8-19)16(21)12-9-11(2)10-13(18)15(12)20/h9-10,14,20H,3-8H2,1-2H3
InChIKey SOPDPPRFFRYGFY-UHFFFAOYSA-N
Literature Reference Author L.M.BIRSA,L.V.ASAFTEI
Literature Reference Citation MH.CHEM.,139,1433(2008)
Literature Reference DOI 10.1007/s00706-008-0944-y
Molecular Weight 463.392 g/mol
Sample ID 40229
Solvent DMSO-D6