For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,9-Dibutyl-2a1,4,8-triazacyclopenta[cd]phenalene
SpectraBase Compound ID KDt5DuAsf5v
InChI InChI=1S/C20H23N3/c1-3-5-8-14-18-12-13-19-15(9-6-4-2)22-17-11-7-10-16(21-14)20(17)23(18)19/h7,10-13H,3-6,8-9H2,1-2H3
InChIKey AZPJLKZWTFESJU-UHFFFAOYSA-N
Mol Weight 305.43 g/mol
Molecular Formula C20H23N3
Exact Mass 305.189198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4uqErSjh2Yi
Name 3,9-Dibutyl-2a1,4,8-triazacyclopenta[cd]phenalene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.189197753 u
Formula C20H23N3
GC Column HP-5MS
InChI InChI=1S/C20H23N3/c1-3-5-8-14-18-12-13-19-15(9-6-4-2)22-17-11-7-10-16(21-14)20(17)23(18)19/h7,10-13H,3-6,8-9H2,1-2H3
InChIKey AZPJLKZWTFESJU-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 or Thermo Scientific Trace 1300 Series-ISQ Single Quadrupole
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102000
Reported Formula C20H23N3
SMILES C12=C3C(=CC=C2)N=C(C=2N3C(C(=N1)CCCC)=CC2)CCCC
SPLASH splash10-00di-0090000000-d242e52338908fc4c76e
Source of Spectrum QE-27-SM26-6b (DOI: 10.1002/chem.202102000)
Thin-Layer Chromatography 0.37 (hexane/EtOAc, 4:1)
Wiley ID 1904135