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1-(4-Bromomethyl-benzyl)-8,15,22-trimethyl-1,8,15,22-triazonia-tricyclo(13.13.6.6/8,22/)tetracontane tetracation
SpectraBase Compound ID 3BoSeCUtNGf
InChI InChI=1S/C47H89BrN4/c1-49-32-16-4-6-18-34-50(2)36-20-8-9-21-37-51(3,35-19-7-5-17-33-49)40-24-12-15-27-43-52(41-25-13-10-22-38-49,42-26-14-11-23-39-50)45-47-30-28-46(44-48)29-31-47/h28-31H,4-27,32-45H2,1-3H3/q+4
InChIKey KAKJUTNAWARYCI-UHFFFAOYSA-N
Mol Weight 790.2 g/mol
Molecular Formula C47H89BrN4
Exact Mass 788.627062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kUL1k1teAg
Name 1-(4-Bromomethyl-benzyl)-8,15,22-trimethyl-1,8,15,22-triazonia-tricyclo(13.13.6.6/8,22/)tetracontane tetracation
CAS Registry Number 105183-18-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C47H89BrN4
InChI InChI=1S/C47H89BrN4/c1-49-32-16-4-6-18-34-50(2)36-20-8-9-21-37-51(3,35-19-7-5-17-33-49)40-24-12-15-27-43-52(41-25-13-10-22-38-49,42-26-14-11-23-39-50)45-47-30-28-46(44-48)29-31-47/h28-31H,4-27,32-45H2,1-3H3/q+4
InChIKey KAKJUTNAWARYCI-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference F.P. Schmidtchen, J. Am. Chem. Soc. 108, 8249 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3