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RTVKSIXEZYHWJR-UHFFFAOYSA-N
SpectraBase Compound ID Q0LYGrCRKK
InChI InChI=1S/C29H29N3O.BrH/c33-29-5-3-4-27(20-29)30-21-23-6-10-25(11-7-23)26-12-8-24(9-13-26)22-31-18-14-28(15-19-31)32-16-1-2-17-32;/h3-15,18-20,30H,1-2,16-17,21-22H2;1H
InChIKey RTVKSIXEZYHWJR-UHFFFAOYSA-N
Mol Weight 516.48 g/mol
Molecular Formula C29H30BrN3O
Exact Mass 515.157226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNRR5rwKYIs
Name RTVKSIXEZYHWJR-UHFFFAOYSA-N
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30BrN3O
InChI InChI=1S/C29H29N3O.BrH/c33-29-5-3-4-27(20-29)30-21-23-6-10-25(11-7-23)26-12-8-24(9-13-26)22-31-18-14-28(15-19-31)32-16-1-2-17-32;/h3-15,18-20,30H,1-2,16-17,21-22H2;1H
InChIKey RTVKSIXEZYHWJR-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 516.481 g/mol
Solvent CD3OD
Source File Reference UWBT15517