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LWYSHBSNYCUQCL-UHFFFAOYSA-M
SpectraBase Compound ID E1eGpqXat0J
InChI InChI=1S/C31H36N3O.BrH/c1-33(2)30-18-20-34(21-19-30)23-27-14-10-25(11-15-27)6-3-4-7-26-12-16-28(17-13-26)24-35-31-9-5-8-29(32)22-31;/h5,8-22H,3-4,6-7,23-24,32H2,1-2H3;1H/q+1;/p-1
InChIKey LWYSHBSNYCUQCL-UHFFFAOYSA-M
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 12zkTUiGBD6
Name LWYSHBSNYCUQCL-UHFFFAOYSA-M
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36BrN3O
InChI InChI=1S/C31H36N3O.BrH/c1-33(2)30-18-20-34(21-19-30)23-27-14-10-25(11-15-27)6-3-4-7-26-12-16-28(17-13-26)24-35-31-9-5-8-29(32)22-31;/h5,8-22H,3-4,6-7,23-24,32H2,1-2H3;1H/q+1;/p-1
InChIKey LWYSHBSNYCUQCL-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 546.550 g/mol
Solvent DMSO-D6
Source File Reference UWBT15515