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FYFNWAIKPVBLDU-UHFFFAOYSA-N
SpectraBase Compound ID 8yrFbbhgzko
InChI InChI=1S/C31H35N3O.BrH/c1-33(2)30-18-20-34(21-19-30)24-28-16-12-26(13-17-28)7-4-3-6-25-10-14-27(15-11-25)23-32-29-8-5-9-31(35)22-29;/h5,8-22,32H,3-4,6-7,23-24H2,1-2H3;1H
InChIKey FYFNWAIKPVBLDU-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C31H36BrN3O
Exact Mass 545.204176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmXIUqT8jkK
Name FYFNWAIKPVBLDU-UHFFFAOYSA-N
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36BrN3O
InChI InChI=1S/C31H35N3O.BrH/c1-33(2)30-18-20-34(21-19-30)24-28-16-12-26(13-17-28)7-4-3-6-25-10-14-27(15-11-25)23-32-29-8-5-9-31(35)22-29;/h5,8-22,32H,3-4,6-7,23-24H2,1-2H3;1H
InChIKey FYFNWAIKPVBLDU-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 546.550 g/mol
Solvent CD3OD
Source File Reference UWBT15523