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3,5-Di(oct-1-yn-1-yl)-2,6-diphenyl-pyridine
SpectraBase Compound ID 6aJPVlezdzC
InChI InChI=1S/C33H37N/c1-3-5-7-9-11-15-25-30-27-31(26-16-12-10-8-6-4-2)33(29-23-19-14-20-24-29)34-32(30)28-21-17-13-18-22-28/h13-14,17-24,27H,3-12H2,1-2H3
InChIKey BLPGRLLOXVFVOP-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C33H37N
Exact Mass 447.2926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2S7AsrT27e0
Name 3,5-Di(oct-1-yn-1-yl)-2,6-diphenyl-pyridine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H37N
InChI InChI=1S/C33H37N/c1-3-5-7-9-11-15-25-30-27-31(26-16-12-10-8-6-4-2)33(29-23-19-14-20-24-29)34-32(30)28-21-17-13-18-22-28/h13-14,17-24,27H,3-12H2,1-2H3
InChIKey BLPGRLLOXVFVOP-UHFFFAOYSA-N
Instrument Name Agilent 6890/5973 or Agilent 7890/5977
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900034
Molecular Weight 447.666 g/mol
Reported Formula C33H37N
SMILES c1(c(cc(c(n1)-c1ccccc1)C#CCCCCCC)C#CCCCCCC)-c1ccccc1
SPLASH splash10-002g-5029300000-82fc66fc6b227a4d4458
Source of Spectrum ASC-361-SM10-3k
Thin-Layer Chromatography Rf = 0.35 (heptane/ethyl acetate, 3:1)
Wiley ID 1837990