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(4AR*,6R*,7AS*)-1-BENZYL-6-TERT.-BUTYL-3-PHENYL-2-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDROCYCLOPENTA-[D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID B4u62Yd0pJH
InChI InChI=1S/C24H28N2OS/c1-24(2,3)18-14-20-21(15-18)25(16-17-10-6-4-7-11-17)23(28)26(22(20)27)19-12-8-5-9-13-19/h4-13,18,20-21H,14-16H2,1-3H3/t18-,20-,21+/m0/s1
InChIKey WIWQSTXHGHUGII-SESVDKBCSA-N
Mol Weight 392.56 g/mol
Molecular Formula C24H28N2OS
Exact Mass 392.192235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKC52fH9nKw
Name (4AR*,6R*,7AS*)-1-BENZYL-6-TERT.-BUTYL-3-PHENYL-2-THIOXO-1,2,3,4A,5,6,7,7A-OCTAHYDROCYCLOPENTA-[D]-PYRIMIDIN-4-ONE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H28N2OS
InChI InChI=1S/C24H28N2OS/c1-24(2,3)18-14-20-21(15-18)25(16-17-10-6-4-7-11-17)23(28)26(22(20)27)19-12-8-5-9-13-19/h4-13,18,20-21H,14-16H2,1-3H3/t18-,20-,21+/m0/s1
InChIKey WIWQSTXHGHUGII-SESVDKBCSA-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 392.559 g/mol
Solvent CDCl3
Source File Reference UWCP6045