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3,5-Bis(cyclohexylethynyl)-2,6-diphenylpyridine
SpectraBase Compound ID Eowxgww8sBq
InChI InChI=1S/C33H33N/c1-5-13-26(14-6-1)21-23-30-25-31(24-22-27-15-7-2-8-16-27)33(29-19-11-4-12-20-29)34-32(30)28-17-9-3-10-18-28/h3-4,9-12,17-20,25-27H,1-2,5-8,13-16H2
InChIKey PBQZDBXNEUGWIB-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C33H33N
Exact Mass 443.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1URs10wG52g
Name 3,5-Bis(cyclohexylethynyl)-2,6-diphenylpyridine
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H33N
InChI InChI=1S/C33H33N/c1-5-13-26(14-6-1)21-23-30-25-31(24-22-27-15-7-2-8-16-27)33(29-19-11-4-12-20-29)34-32(30)28-17-9-3-10-18-28/h3-4,9-12,17-20,25-27H,1-2,5-8,13-16H2
InChIKey PBQZDBXNEUGWIB-UHFFFAOYSA-N
Instrument Name Agilent 6890/5973 or Agilent 7890/5977
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900034
Molecular Weight 443.634 g/mol
Reported Formula C33H33N
SMILES c1(c(cc(c(n1)-c1ccccc1)C#CC1CCCCC1)C#CC1CCCCC1)-c1ccccc1
SPLASH splash10-0006-2028900000-09ca332d825d168d8e1c
Source of Spectrum ASC-361-SM11-3l
Wiley ID 1837991