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CIS-3-METHYL-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDRO-CYCLOPENTA-[D]-PYRIMIDINE-4-ONE
SpectraBase Compound ID 4GhYz5mYboc
InChI InChI=1S/C20H20N2OS/c23-19-17-12-7-13-18(17)21(14-15-8-3-1-4-9-15)20(24)22(19)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2/t17-,18+/m1/s1
InChIKey ATVLASBFWRCQDJ-MSOLQXFVSA-N
Mol Weight 336.45 g/mol
Molecular Formula C20H20N2OS
Exact Mass 336.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRqIyJyo7iU
Name CIS-3-METHYL-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDRO-CYCLOPENTA-[D]-PYRIMIDINE-4-ONE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N2OS
InChI InChI=1S/C20H20N2OS/c23-19-17-12-7-13-18(17)21(14-15-8-3-1-4-9-15)20(24)22(19)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2/t17-,18+/m1/s1
InChIKey ATVLASBFWRCQDJ-MSOLQXFVSA-N
Literature Reference Author F.FUELOEP,Z.SZAKONYI,G.BERNATH,P.SOHAR
Literature Reference Citation J.HETCYCL.CHEM.,34,1211(1997)
Literature Reference DOI 10.1002/jhet.5570340419
Molecular Weight 336.452 g/mol
Solvent CDCl3
Source File Reference UWSW715