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2-(2'-BENZYL-2'-HYDROXY-3'-PHENYLPROP-1'-OXY)-5,5-DIMETHYL-3-(N-MORPHOLINO)-1-CYCLOHEXANONE
SpectraBase Compound ID C6mGA0eTSiP
InChI InChI=1S/C28H35NO4/c1-27(2)19-24(29-13-15-32-16-14-29)26(25(30)20-27)33-21-28(31,17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,31H,13-21H2,1-2H3
InChIKey RRXRJCPHVBSGJS-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C28H35NO4
Exact Mass 449.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmkrhZQ7Vqb
Name 2-(2'-BENZYL-2'-HYDROXY-3'-PHENYLPROP-1'-OXY)-5,5-DIMETHYL-3-(N-MORPHOLINO)-1-CYCLOHEXANONE
CAS Registry Number 139608-44-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35NO4
InChI InChI=1S/C28H35NO4/c1-27(2)19-24(29-13-15-32-16-14-29)26(25(30)20-27)33-21-28(31,17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,31H,13-21H2,1-2H3
InChIKey RRXRJCPHVBSGJS-UHFFFAOYSA-N
Literature Reference Author W.ADAM,S.ANDLER,M.HEIL,V.VOERCKEL
Literature Reference Citation J.ORG.CHEM.,57,2680(1992)
Literature Reference DOI 10.1021/jo00035a025
Molecular Weight 449.590 g/mol
Solvent CDCl3
Source File Reference UWCS1347