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PLEMCYBQGJCDTG-UHFFFAOYSA-N
SpectraBase Compound ID GOqHh4VYEYx
InChI InChI=1S/C29H31N3O.BrH/c1-31(2)28-16-18-32(19-17-28)22-26-14-10-24(11-15-26)7-6-23-8-12-25(13-9-23)21-30-27-4-3-5-29(33)20-27;/h3-5,8-20,30H,6-7,21-22H2,1-2H3;1H
InChIKey PLEMCYBQGJCDTG-UHFFFAOYSA-N
Mol Weight 518.5 g/mol
Molecular Formula C29H32BrN3O
Exact Mass 517.172876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6t1As98tE81
Name PLEMCYBQGJCDTG-UHFFFAOYSA-N
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32BrN3O
InChI InChI=1S/C29H31N3O.BrH/c1-31(2)28-16-18-32(19-17-28)22-26-14-10-24(11-15-26)7-6-23-8-12-25(13-9-23)21-30-27-4-3-5-29(33)20-27;/h3-5,8-20,30H,6-7,21-22H2,1-2H3;1H
InChIKey PLEMCYBQGJCDTG-UHFFFAOYSA-N
Literature Reference Author S.SCHIAFFINO-ORTEGA,A.ESPINOSA,M.A.GALLO,L.C.LOPEZ-CARA,A.EN TRENA
Literature Reference Citation MAGN.RES.CHEM.,52,40(2014)
Literature Reference DOI 10.1002/mrc.4025
Molecular Weight 518.497 g/mol
Solvent CD3OD
Source File Reference UWBT15522