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GLCLHBJXOBYWLN-UHFFFAOYSA-M

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GLCLHBJXOBYWLN-UHFFFAOYSA-M
SpectraBase Compound ID DNEOgBNyXcB
InChI InChI=1S/C29H30N3O3.BrH/c1-30(2)27-16-18-31(19-17-27)21-25-12-8-23(9-13-25)6-7-24-10-14-26(15-11-24)22-35-29-5-3-4-28(20-29)32(33)34;/h3-5,8-20H,6-7,21-22H2,1-2H3;1H/q+1;/p-1
InChIKey GLCLHBJXOBYWLN-UHFFFAOYSA-M
Mol Weight 548.48 g/mol
Molecular Formula C29H30BrN3O3
Exact Mass 547.147055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TZaPPGnvww
Name GLCLHBJXOBYWLN-UHFFFAOYSA-M
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30BrN3O3
InChI InChI=1S/C29H30N3O3.BrH/c1-30(2)27-16-18-31(19-17-27)21-25-12-8-23(9-13-25)6-7-24-10-14-26(15-11-24)22-35-29-5-3-4-28(20-29)32(33)34;/h3-5,8-20H,6-7,21-22H2,1-2H3;1H/q+1;/p-1
InChIKey GLCLHBJXOBYWLN-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 548.480 g/mol
Solvent CD3OD
Source File Reference UWBT15506