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VZZWTBAZZWRMDJ-UHFFFAOYSA-N

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VZZWTBAZZWRMDJ-UHFFFAOYSA-N
SpectraBase Compound ID D2zDKwCKLdN
InChI InChI=1S/C31H33N3O.BrH/c35-31-5-3-4-29(22-31)32-23-27-12-8-25(9-13-27)6-7-26-10-14-28(15-11-26)24-33-20-16-30(17-21-33)34-18-1-2-19-34;/h3-5,8-17,20-22,32H,1-2,6-7,18-19,23-24H2;1H
InChIKey VZZWTBAZZWRMDJ-UHFFFAOYSA-N
Mol Weight 544.5 g/mol
Molecular Formula C31H34BrN3O
Exact Mass 543.188526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENfGDolgAEc
Name VZZWTBAZZWRMDJ-UHFFFAOYSA-N
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34BrN3O
InChI InChI=1S/C31H33N3O.BrH/c35-31-5-3-4-29(22-31)32-23-27-12-8-25(9-13-27)6-7-26-10-14-28(15-11-26)24-33-20-16-30(17-21-33)34-18-1-2-19-34;/h3-5,8-17,20-22,32H,1-2,6-7,18-19,23-24H2;1H
InChIKey VZZWTBAZZWRMDJ-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 544.534 g/mol
Solvent CD3OD
Source File Reference UWBT15518