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12c-Phenyethynyl-4,8,12-tri-n-propyl-4,8,12-triazatriangulene
SpectraBase Compound ID LwH4ppsTdL9
InChI InChI=1S/C36H35N3/c1-4-23-37-27-15-10-17-29-33(27)36(22-21-26-13-8-7-9-14-26)34-28(37)16-11-18-30(34)39(25-6-3)32-20-12-19-31(35(32)36)38(29)24-5-2/h7-20H,4-6,23-25H2,1-3H3
InChIKey LQYTZWBGWCKVQE-UHFFFAOYSA-N
Mol Weight 509.7 g/mol
Molecular Formula C36H35N3
Exact Mass 509.283098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlsK9cM8KyT
Name 12c-Phenyethynyl-4,8,12-tri-n-propyl-4,8,12-triazatriangulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H35N3
InChI InChI=1S/C36H35N3/c1-4-23-37-27-15-10-17-29-33(27)36(22-21-26-13-8-7-9-14-26)34-28(37)16-11-18-30(34)39(25-6-3)32-20-12-19-31(35(32)36)38(29)24-5-2/h7-20H,4-6,23-25H2,1-3H3
InChIKey LQYTZWBGWCKVQE-UHFFFAOYSA-N
Molecular Weight 509.697 g/mol
SMILES C12(c3c4cccc3N(c3c1c(N(CCC)c1c2c(N4CCC)ccc1)ccc3)CCC)C#Cc1ccccc1
SPLASH splash10-0a4i-0312960000-a387121d3d9f1f3b0738
Source of Spectrum U1-2010-5049-4a
Wiley ID 1664322