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ETHYL-(2R,6R)-1-BENZYL-4,6-DIPHENYL-2,3,6,7-TETRAHYDRO-1H-AZEPANE-2-CARBOXYLATE;MAJOR-ISOMER

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ETHYL-(2R,6R)-1-BENZYL-4,6-DIPHENYL-2,3,6,7-TETRAHYDRO-1H-AZEPANE-2-CARBOXYLATE;MAJOR-ISOMER
SpectraBase Compound ID ExE5EhANxKy
InChI InChI=1S/C28H29NO2/c1-2-31-28(30)27-19-25(23-14-8-4-9-15-23)18-26(24-16-10-5-11-17-24)21-29(27)20-22-12-6-3-7-13-22/h3-18,26-27H,2,19-21H2,1H3/t26-,27+/m0/s1
InChIKey OKNRGFIOIGJGMZ-RRPNLBNLSA-N
Mol Weight 411.55 g/mol
Molecular Formula C28H29NO2
Exact Mass 411.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aCAWf0283z
Name ETHYL-(2R,6R)-1-BENZYL-4,6-DIPHENYL-2,3,6,7-TETRAHYDRO-1H-AZEPANE-2-CARBOXYLATE;MAJOR-ISOMER
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29NO2
InChI InChI=1S/C28H29NO2/c1-2-31-28(30)27-19-25(23-14-8-4-9-15-23)18-26(24-16-10-5-11-17-24)21-29(27)20-22-12-6-3-7-13-22/h3-18,26-27H,2,19-21H2,1H3/t26-,27+/m0/s1
InChIKey OKNRGFIOIGJGMZ-RRPNLBNLSA-N
Literature Reference Author F.COUTY,F.DURRAT,G.EVANO,J.MARROT
Literature Reference Citation EUR.J.ORG.CHEM.,4214(2006)
Molecular Weight 411.544 g/mol
Sample ID 32834
Solvent Unknown