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JBIINIIMCWDYGS-UHFFFAOYSA-N

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JBIINIIMCWDYGS-UHFFFAOYSA-N
SpectraBase Compound ID 7bZJr2hcilL
InChI InChI=1S/C33H37N3O.BrH/c37-33-9-5-8-31(24-33)34-25-29-14-10-27(11-15-29)6-1-2-7-28-12-16-30(17-13-28)26-35-22-18-32(19-23-35)36-20-3-4-21-36;/h5,8-19,22-24,34H,1-4,6-7,20-21,25-26H2;1H
InChIKey JBIINIIMCWDYGS-UHFFFAOYSA-N
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 59T0UI8Wnql
Name JBIINIIMCWDYGS-UHFFFAOYSA-N
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38BrN3O
InChI InChI=1S/C33H37N3O.BrH/c37-33-9-5-8-31(24-33)34-25-29-14-10-27(11-15-29)6-1-2-7-28-12-16-30(17-13-28)26-35-22-18-32(19-23-35)36-20-3-4-21-36;/h5,8-19,22-24,34H,1-4,6-7,20-21,25-26H2;1H
InChIKey JBIINIIMCWDYGS-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 572.588 g/mol
Solvent CD3OD
Source File Reference UWBT15519