John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EHCE54Xb3Jb SpectraBase Spectrum ID=7UQADdMHF8F

(accessed ).
WCTVOCDBSMJOPH-UHFFFAOYSA-M
SpectraBase Compound ID EHCE54Xb3Jb
InChI InChI=1S/C28H28N7.BrH/c29-27-26-28(31-19-30-27)35(20-32-26)18-22-5-9-24(10-6-22)23-7-3-21(4-8-23)17-33-15-11-25(12-16-33)34-13-1-2-14-34;/h3-12,15-16,19-20H,1-2,13-14,17-18H2,(H2,29,30,31);1H/q+1;/p-1
InChIKey WCTVOCDBSMJOPH-UHFFFAOYSA-M
Mol Weight 542.49 g/mol
Molecular Formula C28H28BrN7
Exact Mass 541.158955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UQADdMHF8F
Name WCTVOCDBSMJOPH-UHFFFAOYSA-M
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28BrN7
InChI InChI=1S/C28H28N7.BrH/c29-27-26-28(31-19-30-27)35(20-32-26)18-22-5-9-24(10-6-22)23-7-3-21(4-8-23)17-33-15-11-25(12-16-33)34-13-1-2-14-34;/h3-12,15-16,19-20H,1-2,13-14,17-18H2,(H2,29,30,31);1H/q+1;/p-1
InChIKey WCTVOCDBSMJOPH-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 542.481 g/mol
Solvent DMSO-D6
Source File Reference UWBT16073
SpectraBase Batch ID 4hEKUuGXhtK