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FWDJLISKWFKUEM-UHFFFAOYSA-M
SpectraBase Compound ID 8ToJlGqbV7D
InChI InChI=1S/C29H30N3O.BrH/c30-27-4-3-5-29(20-27)33-22-24-8-12-26(13-9-24)25-10-6-23(7-11-25)21-31-18-14-28(15-19-31)32-16-1-2-17-32;/h3-15,18-20H,1-2,16-17,21-22,30H2;1H/q+1;/p-1
InChIKey FWDJLISKWFKUEM-UHFFFAOYSA-M
Mol Weight 516.48 g/mol
Molecular Formula C29H30BrN3O
Exact Mass 515.157226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuHZegCqxJd
Name FWDJLISKWFKUEM-UHFFFAOYSA-M
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30BrN3O
InChI InChI=1S/C29H30N3O.BrH/c30-27-4-3-5-29(20-27)33-22-24-8-12-26(13-9-24)25-10-6-23(7-11-25)21-31-18-14-28(15-19-31)32-16-1-2-17-32;/h3-15,18-20H,1-2,16-17,21-22,30H2;1H/q+1;/p-1
InChIKey FWDJLISKWFKUEM-UHFFFAOYSA-M
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 516.481 g/mol
Solvent DMSO-D6
Source File Reference UWBT15509