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(4AR*,6R*,7AS*)-1-BENZYL-6-TERT.-BUTYL-2-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDROCYCLOPENTA-[D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID Cs3gM8t82n2
InChI InChI=1S/C18H24N2OS/c1-18(2,3)13-9-14-15(10-13)20(17(22)19-16(14)21)11-12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,19,21,22)/t13-,14-,15+/m0/s1
InChIKey MTJCKGPITZUHDA-SOUVJXGZSA-N
Mol Weight 316.46 g/mol
Molecular Formula C18H24N2OS
Exact Mass 316.160935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9o7qjlynXRC
Name (4AR*,6R*,7AS*)-1-BENZYL-6-TERT.-BUTYL-2-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDROCYCLOPENTA-[D]-PYRIMIDIN-4-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24N2OS
InChI InChI=1S/C18H24N2OS/c1-18(2,3)13-9-14-15(10-13)20(17(22)19-16(14)21)11-12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,19,21,22)/t13-,14-,15+/m0/s1
InChIKey MTJCKGPITZUHDA-SOUVJXGZSA-N
Literature Reference Author Z.SZAKONYI,F.FUELOEP,G.BERNATH,P.SOHAR
Literature Reference Citation HETEROCYCLES,42,625(1996)
Literature Reference DOI 10.3987/COM-95-S54
Molecular Weight 316.461 g/mol
Solvent CDCl3
Source File Reference UWCP6041