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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zs2XWPyjbQ
Name 12c-Phenyl-4,8,12-tri-n-octyl-4,8,12-triazatriangulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 696.080 g/mol
SMILES C12(c3c4cccc3N(c3c1c(N(CCCCCCCC)c1c2c(N4CCCCCCCC)ccc1)ccc3)CCCCCCCC)c1ccccc1
SPLASH splash10-014i-0001009000-f8564a13501e3f717c76
Source of Spectrum U1-2010-5049-3b
Wiley ID 1664323