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WHIGBSCGVOTROP-UHFFFAOYSA-M
SpectraBase Compound ID BluYZ9uwYSv
InChI InChI=1S/C27H28N3O.BrH/c1-29(2)26-14-16-30(17-15-26)19-21-6-10-23(11-7-21)24-12-8-22(9-13-24)20-31-27-5-3-4-25(28)18-27;/h3-18H,19-20,28H2,1-2H3;1H/q+1;/p-1
InChIKey WHIGBSCGVOTROP-UHFFFAOYSA-M
Mol Weight 490.45 g/mol
Molecular Formula C27H28BrN3O
Exact Mass 489.141576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kb250IJWdM0
Name WHIGBSCGVOTROP-UHFFFAOYSA-M
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28BrN3O
InChI InChI=1S/C27H28N3O.BrH/c1-29(2)26-14-16-30(17-15-26)19-21-6-10-23(11-7-21)24-12-8-22(9-13-24)20-31-27-5-3-4-25(28)18-27;/h3-18H,19-20,28H2,1-2H3;1H/q+1;/p-1
InChIKey WHIGBSCGVOTROP-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 490.443 g/mol
Solvent CD3OD
Source File Reference UWBT15513