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2-(BIS-(4-PYRROLIDINOPHENYL)-METHYL)-3-HYDROXY-5,5-DIMETHYLCYCLOHEX-2-ENONE

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2-(BIS-(4-PYRROLIDINOPHENYL)-METHYL)-3-HYDROXY-5,5-DIMETHYLCYCLOHEX-2-ENONE
SpectraBase Compound ID HUb3K1tuvlI
InChI InChI=1S/C29H36N2O2/c1-29(2)19-25(32)28(26(33)20-29)27(21-7-11-23(12-8-21)30-15-3-4-16-30)22-9-13-24(14-10-22)31-17-5-6-18-31/h7-14,27,32H,3-6,15-20H2,1-2H3
InChIKey NMRFPZLBFJBFOV-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C29H36N2O2
Exact Mass 444.277678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3t2Zf8LRjUs
Name 2-(BIS-(4-PYRROLIDINOPHENYL)-METHYL)-3-HYDROXY-5,5-DIMETHYLCYCLOHEX-2-ENONE
Compound Number 3AB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36N2O2
InChI InChI=1S/C29H36N2O2/c1-29(2)19-25(32)28(26(33)20-29)27(21-7-11-23(12-8-21)30-15-3-4-16-30)22-9-13-24(14-10-22)31-17-5-6-18-31/h7-14,27,32H,3-6,15-20H2,1-2H3
InChIKey NMRFPZLBFJBFOV-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 444.617 g/mol
Sample ID 52008
Solvent CDCl3