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(+/-)-BENZYL-3-BENZYL-8-AZABICYCLO-[3.2.1]-OCT-2-ENE-8-CARBOXYLATE
SpectraBase Compound ID HxoqdPBxP47
InChI InChI=1S/2C22H23NO2/c2*24-22(25-16-18-9-5-2-6-10-18)23-20-11-12-21(23)15-19(14-20)13-17-7-3-1-4-8-17/h2*1-10,14,20-21H,11-13,15-16H2/t2*20-,21+/m00/s1
InChIKey MNLMWWGTCQNBBL-LNTGIPEPSA-N
Mol Weight 666.86 g/mol
Molecular Formula C44H46N2O4
Exact Mass 666.345758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxfchfO6XO9
Name (+/-)-BENZYL-3-BENZYL-8-AZABICYCLO-[3.2.1]-OCT-2-ENE-8-CARBOXYLATE
Compound Number RAC-21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46N2O4
InChI InChI=1S/2C22H23NO2/c2*24-22(25-16-18-9-5-2-6-10-18)23-20-11-12-21(23)15-19(14-20)13-17-7-3-1-4-8-17/h2*1-10,14,20-21H,11-13,15-16H2/t2*20-,21+/m00/s1
InChIKey MNLMWWGTCQNBBL-LNTGIPEPSA-N
Literature Reference Author S.VLAHOVIC,N.SCHAEDEL,S.TUSSETSCHLAEGER,S.LASCHAT
Literature Reference Citation EUR.J.ORG.CHEM.,2013,1580(2013)
Literature Reference DOI 10.1002/ejoc.201201539
Molecular Weight 666.860 g/mol
Solvent CDCl3
Source File Reference UWBT18150