John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7FBUkp1utGT SpectraBase Spectrum ID=IVTdkujQ6GQ

(accessed ).
WWMAGXLKJVQCHA-UHFFFAOYSA-M
SpectraBase Compound ID 7FBUkp1utGT
InChI InChI=1S/C30H33N7.BrH/c31-29-28-30(33-21-32-28)37(22-34-29)20-26-11-7-24(8-12-26)4-3-23-5-9-25(10-6-23)19-35-17-13-27(14-18-35)36-15-1-2-16-36;/h5-14,17-18,21-22H,1-4,15-16,19-20H2,(H2,31,34)(H,32,33);1H/q+1;/p-1
InChIKey WWMAGXLKJVQCHA-UHFFFAOYSA-M
Mol Weight 571.5 g/mol
Molecular Formula C30H33BrN7
Exact Mass 570.19808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVTdkujQ6GQ
Name WWMAGXLKJVQCHA-UHFFFAOYSA-M
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H33BrN7
InChI InChI=1S/C30H33N7.BrH/c31-29-28-30(33-21-32-28)37(22-34-29)20-26-11-7-24(8-12-26)4-3-23-5-9-25(10-6-23)19-35-17-13-27(14-18-35)36-15-1-2-16-36;/h5-14,17-18,21-22H,1-4,15-16,19-20H2,(H2,31,34)(H,32,33);1H/q+1;/p-1
InChIKey WWMAGXLKJVQCHA-UHFFFAOYSA-M
Literature Reference Author B.RUBIO-RUIZ,A.CONEJO-GARCIA,M.A.GALLO,A.ESPINOSA,A.ENTRENA
Literature Reference Citation MAGN.RES.CHEM.,50,466(2012)
Literature Reference DOI 10.1002/mrc.3817
Molecular Weight 571.543 g/mol
Solvent CD3OD
Source File Reference UWBT16080
SpectraBase Batch ID 4GcCt9GBE0A