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12c-Phenyl-4,8,12-tri-n-octyl-4,8,12-triazatriangulene

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12c-Phenyl-4,8,12-tri-n-octyl-4,8,12-triazatriangulene
SpectraBase Compound ID FKuDtaCq2cG
InChI InChI=1S/C49H65N3/c1-4-7-10-13-16-22-36-50-40-30-25-32-42-46(40)49(39-28-20-19-21-29-39)47-41(50)31-26-33-43(47)52(38-24-18-15-12-9-6-3)45-35-27-34-44(48(45)49)51(42)37-23-17-14-11-8-5-2/h19-21,25-35H,4-18,22-24,36-38H2,1-3H3
InChIKey JFXDUJOLBXUUGA-UHFFFAOYSA-N
Mol Weight 696.1 g/mol
Molecular Formula C49H65N3
Exact Mass 695.517849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bNofeH7uGm
Name 12C-PHENYL-4,8,12-TRI-N-OCTYL-4,8,12-TRIAZATRIANGULENE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H65N3
InChI InChI=1S/C49H65N3/c1-4-7-10-13-16-22-36-50-40-30-25-32-42-46(40)49(39-28-20-19-21-29-39)47-41(50)31-26-33-43(47)52(38-24-18-15-12-9-6-3)45-35-27-34-44(48(45)49)51(42)37-23-17-14-11-8-5-2/h19-21,25-35H,4-18,22-24,36-38H2,1-3H3
InChIKey JFXDUJOLBXUUGA-UHFFFAOYSA-N
Literature Reference Author J.KUBITSCHKE,C.NAETHER,R.HERGES
Literature Reference Citation EUR.J.ORG.CHEM.,2010,5041(2010)
Literature Reference DOI 10.1002/ejoc.201000650
Molecular Weight 696.075 g/mol
Solvent CDCl3
Source File Reference UWLU86113