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6-TERT.-BUTYL-2-(3-CHLOROPHENYL)-3,4A,5,6,7,7A-HEXAHYDRO-4H-CYCLOPENTA-[D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID 39cc8n7hdzN
InChI InChI=1S/C17H21ClN2O/c1-17(2,3)11-8-13-14(9-11)19-15(20-16(13)21)10-5-4-6-12(18)7-10/h4-7,11,13-14H,8-9H2,1-3H3,(H,19,20,21)/t11-,13-,14+/m0/s1
InChIKey YFAWSXBIOGECTJ-FPMFFAJLSA-N
Mol Weight 304.82 g/mol
Molecular Formula C17H21ClN2O
Exact Mass 304.134241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96X8dccOPRa
Name 6-TERT.-BUTYL-2-(3-CHLOROPHENYL)-3,4A,5,6,7,7A-HEXAHYDRO-4H-CYCLOPENTA-[D]-PYRIMIDIN-4-ONE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21ClN2O
InChI InChI=1S/C17H21ClN2O/c1-17(2,3)11-8-13-14(9-11)19-15(20-16(13)21)10-5-4-6-12(18)7-10/h4-7,11,13-14H,8-9H2,1-3H3,(H,19,20,21)/t11-,13-,14+/m0/s1
InChIKey YFAWSXBIOGECTJ-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 304.820 g/mol
Solvent CDCl3
Source File Reference UWCP6032