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1,3,5-Tri(oct-1-ynyl)benzene
SpectraBase Compound ID Iho9cKplzX4
InChI InChI=1S/C30H42/c1-4-7-10-13-16-19-22-28-25-29(23-20-17-14-11-8-5-2)27-30(26-28)24-21-18-15-12-9-6-3/h25-27H,4-18H2,1-3H3
InChIKey GMVYWGLADXCTGD-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C30H42
Exact Mass 402.328651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEBIwVDevMy
Name 1,3,5-Tri(oct-1-ynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42
InChI InChI=1S/C30H42/c1-4-7-10-13-16-19-22-28-25-29(23-20-17-14-11-8-5-2)27-30(26-28)24-21-18-15-12-9-6-3/h25-27H,4-18H2,1-3H3
InChIKey GMVYWGLADXCTGD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200303067
Molecular Weight 402.666 g/mol
SMILES c1(cc(cc(c1)C#CCCCCCC)C#CCCCCCC)C#CCCCCCC
SPLASH splash10-0a4i-5981100000-7febb6e058f135a643d4
Source of Spectrum ASC-345-1155-9u
Synonyms 1,3,5-tri(oct-1-yn-1-yl)benzene
Wiley ID 1767443