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AUQQCKMRUHRPSF-UHFFFAOYSA-M

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AUQQCKMRUHRPSF-UHFFFAOYSA-M
SpectraBase Compound ID Jxrratsk661
InChI InChI=1S/C33H38N3O.BrH/c34-31-8-5-9-33(24-31)37-26-30-16-12-28(13-17-30)7-2-1-6-27-10-14-29(15-11-27)25-35-22-18-32(19-23-35)36-20-3-4-21-36;/h5,8-19,22-24H,1-4,6-7,20-21,25-26,34H2;1H/q+1;/p-1
InChIKey AUQQCKMRUHRPSF-UHFFFAOYSA-M
Mol Weight 572.6 g/mol
Molecular Formula C33H38BrN3O
Exact Mass 571.219826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hDrZhc90ca
Name AUQQCKMRUHRPSF-UHFFFAOYSA-M
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38BrN3O
InChI InChI=1S/C33H38N3O.BrH/c34-31-8-5-9-33(24-31)37-26-30-16-12-28(13-17-30)7-2-1-6-27-10-14-29(15-11-27)25-35-22-18-32(19-23-35)36-20-3-4-21-36;/h5,8-19,22-24H,1-4,6-7,20-21,25-26,34H2;1H/q+1;/p-1
InChIKey AUQQCKMRUHRPSF-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 572.588 g/mol
Solvent CD3OD
Source File Reference UWBT15511