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3-Pentyl-2-(phenylethynyl)-1,1'-biphenyl

View entire compound with spectra: 1 MS (GC)

3-Pentyl-2-(phenylethynyl)-1,1'-biphenyl
SpectraBase Compound ID 2zcfd3NT57c
InChI InChI=1S/C25H24/c1-2-3-6-14-23-17-11-18-24(22-15-9-5-10-16-22)25(23)20-19-21-12-7-4-8-13-21/h4-5,7-13,15-18H,2-3,6,14H2,1H3
InChIKey XXLAENILMPFQIH-UHFFFAOYSA-N
Mol Weight 324.47 g/mol
Molecular Formula C25H24
Exact Mass 324.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzxYg1hZFeY
Name 3-Pentyl-2-(phenylethynyl)-1,1'-biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24
InChI InChI=1S/C25H24/c1-2-3-6-14-23-17-11-18-24(22-15-9-5-10-16-22)25(23)20-19-21-12-7-4-8-13-21/h4-5,7-13,15-18H,2-3,6,14H2,1H3
InChIKey XXLAENILMPFQIH-UHFFFAOYSA-N
Molecular Weight 324.467 g/mol
SMILES c1(c(c(ccc1)CCCCC)C#Cc1ccccc1)-c1ccccc1
SPLASH splash10-0udi-0090000000-122ba506a5a57e413978
Source of Spectrum J-80-7315-11a
Wiley ID 1806715