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BNXLDFZOJPZNLX-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

BNXLDFZOJPZNLX-UHFFFAOYSA-M
SpectraBase Compound ID AoQqltG55nS
InChI InChI=1S/C26H27N7.BrH/c1-31(2)23-11-13-32(14-12-23)15-19-3-7-21(8-4-19)22-9-5-20(6-10-22)16-33-18-30-25(27)24-26(33)29-17-28-24;/h3-14,17-18H,15-16H2,1-2H3,(H2,27,30)(H,28,29);1H/q+1;/p-1
InChIKey BNXLDFZOJPZNLX-UHFFFAOYSA-M
Mol Weight 517.46 g/mol
Molecular Formula C26H27BrN7
Exact Mass 516.151132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jj0FdXk64bB
Name BNXLDFZOJPZNLX-UHFFFAOYSA-M
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H27BrN7
InChI InChI=1S/C26H27N7.BrH/c1-31(2)23-11-13-32(14-12-23)15-19-3-7-21(8-4-19)22-9-5-20(6-10-22)16-33-18-30-25(27)24-26(33)29-17-28-24;/h3-14,17-18H,15-16H2,1-2H3,(H2,27,30)(H,28,29);1H/q+1;/p-1
InChIKey BNXLDFZOJPZNLX-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 517.451 g/mol
Solvent CD3OD
Source File Reference UWBT16079