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VJWBOKYFMKDTMI-UHFFFAOYSA-N
SpectraBase Compound ID IB24765vXGu
InChI InChI=1S/C21H23N3O.BrH/c1-23(2)20-10-12-24(13-11-20)16-18-8-6-17(7-9-18)15-22-19-4-3-5-21(25)14-19;/h3-14,22H,15-16H2,1-2H3;1H
InChIKey VJWBOKYFMKDTMI-UHFFFAOYSA-N
Mol Weight 414.35 g/mol
Molecular Formula C21H24BrN3O
Exact Mass 413.110275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfcTv3BBYTT
Name VJWBOKYFMKDTMI-UHFFFAOYSA-N
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24BrN3O
InChI InChI=1S/C21H23N3O.BrH/c1-23(2)20-10-12-24(13-11-20)16-18-8-6-17(7-9-18)15-22-19-4-3-5-21(25)14-19;/h3-14,22H,15-16H2,1-2H3;1H
InChIKey VJWBOKYFMKDTMI-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 414.345 g/mol
Solvent CD3OD
Source File Reference UWBT15520