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VUBPVEORQFYJET-UHFFFAOYSA-M
SpectraBase Compound ID Gj0KkS80528
InChI InChI=1S/C27H26N3O3.BrH/c1-28(2)25-14-16-29(17-15-25)19-21-6-10-23(11-7-21)24-12-8-22(9-13-24)20-33-27-5-3-4-26(18-27)30(31)32;/h3-18H,19-20H2,1-2H3;1H/q+1;/p-1
InChIKey VUBPVEORQFYJET-UHFFFAOYSA-M
Mol Weight 520.43 g/mol
Molecular Formula C27H26BrN3O3
Exact Mass 519.115755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2j99rNbMP57
Name VUBPVEORQFYJET-UHFFFAOYSA-M
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26BrN3O3
InChI InChI=1S/C27H26N3O3.BrH/c1-28(2)25-14-16-29(17-15-25)19-21-6-10-23(11-7-21)24-12-8-22(9-13-24)20-33-27-5-3-4-26(18-27)30(31)32;/h3-18H,19-20H2,1-2H3;1H/q+1;/p-1
InChIKey VUBPVEORQFYJET-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 520.426 g/mol
Solvent CD3OD
Source File Reference UWBT15505