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2-(BIS-(LILOLIDIN-8-YL)-METHYL)-3-HYDROXY-5,5-DIMETHYLCYCLOHEX-2-ENONE
SpectraBase Compound ID 86YgEghRLfr
InChI InChI=1S/C31H36N2O2/c1-31(2)17-25(34)28(26(35)18-31)27(23-13-19-5-3-9-32-11-7-21(15-23)29(19)32)24-14-20-6-4-10-33-12-8-22(16-24)30(20)33/h13-16,27,34H,3-12,17-18H2,1-2H3
InChIKey RYSMUVGAJLOQPU-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C31H36N2O2
Exact Mass 468.277678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4v4pkjm1aZw
Name 2-(BIS-(LILOLIDIN-8-YL)-METHYL)-3-HYDROXY-5,5-DIMETHYLCYCLOHEX-2-ENONE
Compound Number 3AE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36N2O2
InChI InChI=1S/C31H36N2O2/c1-31(2)17-25(34)28(26(35)18-31)27(23-13-19-5-3-9-32-11-7-21(15-23)29(19)32)24-14-20-6-4-10-33-12-8-22(16-24)30(20)33/h13-16,27,34H,3-12,17-18H2,1-2H3
InChIKey RYSMUVGAJLOQPU-UHFFFAOYSA-N
Literature Reference Author T.BUG,H.MAYR
Literature Reference Citation J.AM.CHEM.SOC.,125,12980(2003)
Literature Reference DOI 10.1021/ja036838e
Molecular Weight 468.639 g/mol
Sample ID 52009
Solvent CDCl3