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3-ETHYL_5-METHYL_4,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIDINE-3,5-DICARBOXYLATE
SpectraBase Compound ID 3vPAyRONvTQ
InChI InChI=1S/C12H17NO4S/c1-5-17-12(15)9-6(2)8(11(14)16-4)7(3)13-10(9)18/h6,9H,5H2,1-4H3,(H,13,18)/t6-,9+/m0/s1
InChIKey KOBOWZLSZSEBRX-IMTBSYHQSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GaKNMFhlY6u
Name 3-ETHYL_5-METHYL_4,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIDINE-3,5-DICARBOXYLATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-5-17-12(15)9-6(2)8(11(14)16-4)7(3)13-10(9)18/h6,9H,5H2,1-4H3,(H,13,18)/t6-,9+/m0/s1
InChIKey KOBOWZLSZSEBRX-IMTBSYHQSA-N
Literature Reference Author S.BHATIA,D.BUCKLEY,R.W.MCCABE,P.B.HITCHCOCK
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1101(1998)
Literature Reference DOI 10.1039/a707521i
Molecular Weight 271.331 g/mol
Solvent CDCl3
Source File Reference UWBS783