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HPXDOZFOILIYQW-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

HPXDOZFOILIYQW-UHFFFAOYSA-M
SpectraBase Compound ID JvBTjUQyfc2
InChI InChI=1S/C28H30N7.BrH/c1-33(2)25-13-15-34(16-14-25)17-23-9-5-21(6-10-23)3-4-22-7-11-24(12-8-22)18-35-20-32-26-27(29)30-19-31-28(26)35;/h5-16,19-20H,3-4,17-18H2,1-2H3,(H2,29,30,31);1H/q+1;/p-1
InChIKey HPXDOZFOILIYQW-UHFFFAOYSA-M
Mol Weight 544.5 g/mol
Molecular Formula C28H30BrN7
Exact Mass 543.174607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7t7NgYT8cAS
Name HPXDOZFOILIYQW-UHFFFAOYSA-M
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30BrN7
InChI InChI=1S/C28H30N7.BrH/c1-33(2)25-13-15-34(16-14-25)17-23-9-5-21(6-10-23)3-4-22-7-11-24(12-8-22)18-35-20-32-26-27(29)30-19-31-28(26)35;/h5-16,19-20H,3-4,17-18H2,1-2H3,(H2,29,30,31);1H/q+1;/p-1
InChIKey HPXDOZFOILIYQW-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 544.497 g/mol
Solvent CD3OD
Source File Reference UWBT16074