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1,4,7-Tricyano-2,2,5,5,8,8-hexaphenyl-octahydro-triazonine
SpectraBase Compound ID Ha19lfLGAu
InChI InChI=1S/C45H36N6/c46-34-49-32-44(39-23-11-3-12-24-39,40-25-13-4-14-26-40)51(36-48)33-45(41-27-15-5-16-28-41,42-29-17-6-18-30-42)50(35-47)31-43(49,37-19-7-1-8-20-37)38-21-9-2-10-22-38/h1-30H,31-33H2
InChIKey YFFTWBFBPAOIFC-UHFFFAOYSA-N
Mol Weight 660.8 g/mol
Molecular Formula C45H36N6
Exact Mass 660.300145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IszNj1p887
Name 1,4,7-Tricyano-2,2,5,5,8,8-hexaphenyl-octahydro-triazonine
CAS Registry Number 90594-41-5
Comments ASSIGNMENT OF AROMATIC CARBONS BY HWZ
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C45H36N6
InChI InChI=1S/C45H36N6/c46-34-49-32-44(39-23-11-3-12-24-39,40-25-13-4-14-26-40)51(36-48)33-45(41-27-15-5-16-28-41,42-29-17-6-18-30-42)50(35-47)31-43(49,37-19-7-1-8-20-37)38-21-9-2-10-22-38/h1-30H,31-33H2
InChIKey YFFTWBFBPAOIFC-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference H. Boehme, G. Braun, Arch. Pharm. 317, 411 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3