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1-(4-Hydroxymethyl-benzyl)-8,15,22-trimethyl-1,8,15,22-triazonia-tricyclo(13.13.6.6/8,22/)tetracontane tetracation
SpectraBase Compound ID 3YquocgtDK4
InChI InChI=1S/C47H90N4O/c1-48-32-16-4-6-18-34-49(2)36-20-8-9-21-37-50(3,35-19-7-5-17-33-48)40-24-12-15-27-43-51(41-25-13-10-22-38-48,42-26-14-11-23-39-49)44-46-28-30-47(45-52)31-29-46/h28-31,52H,4-27,32-45H2,1-3H3/q+4
InChIKey MOGQIWLQKJAMAP-UHFFFAOYSA-N
Mol Weight 727.3 g/mol
Molecular Formula C47H90N4O
Exact Mass 726.711464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yhd46uynfx
Name 1-(4-Hydroxymethyl-benzyl)-8,15,22-trimethyl-1,8,15,22-triazonia-tricyclo(13.13.6.6/8,22/)tetracontane tetracation
CAS Registry Number 105183-16-2
Comments BF4-SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C47H90N4O
InChI InChI=1S/C47H90N4O/c1-48-32-16-4-6-18-34-49(2)36-20-8-9-21-37-50(3,35-19-7-5-17-33-48)40-24-12-15-27-43-51(41-25-13-10-22-38-48,42-26-14-11-23-39-49)44-46-28-30-47(45-52)31-29-46/h28-31,52H,4-27,32-45H2,1-3H3/q+4
InChIKey MOGQIWLQKJAMAP-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 CH3CN