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(4AR*,6R*,7AS*)-6-TERT.-BUTYL-3-PHENYL-2-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDROCYCLOPENTA-[D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID 5CgjMI8dvii
InChI InChI=1S/C17H22N2OS/c1-17(2,3)11-9-13-14(10-11)18-16(21)19(15(13)20)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,18,21)/t11-,13-,14+/m0/s1
InChIKey ZYLFDCCIUJWNAH-FPMFFAJLSA-N
Mol Weight 302.44 g/mol
Molecular Formula C17H22N2OS
Exact Mass 302.145285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kn7C2XXwDh
Name (4AR*,6R*,7AS*)-6-TERT.-BUTYL-3-PHENYL-2-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDROCYCLOPENTA-[D]-PYRIMIDIN-4-ONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N2OS
InChI InChI=1S/C17H22N2OS/c1-17(2,3)11-9-13-14(10-11)18-16(21)19(15(13)20)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,18,21)/t11-,13-,14+/m0/s1
InChIKey ZYLFDCCIUJWNAH-FPMFFAJLSA-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 302.434 g/mol
Solvent DMSO-D6
Source File Reference UWCP6044