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2-Methyl-5-phenyl-3-(2-(phenylethynyl)-[1,1'-biphenyl]-3-yl)-thiophene
SpectraBase Compound ID 9vzSrfDrxd9
InChI InChI=1S/C31H22S/c1-23-22-30(31(32-23)26-16-9-4-10-17-26)28-19-11-18-27(25-14-7-3-8-15-25)29(28)21-20-24-12-5-2-6-13-24/h2-19,22H,1H3
InChIKey BCKJEEZDHQZDLH-UHFFFAOYSA-N
Mol Weight 426.58 g/mol
Molecular Formula C31H22S
Exact Mass 426.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHtCReuOR9B
Name 2-Methyl-5-phenyl-3-(2-(phenylethynyl)-[1,1'-biphenyl]-3-yl)-thiophene
Alternate Name(s) 5-Methyl-2-phenyl-3-(2-(phenylethynyl)-[1,1'-biphenyl]-3-yl)thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H22S
InChI InChI=1S/C31H22S/c1-23-22-30(31(32-23)26-16-9-4-10-17-26)28-19-11-18-27(25-14-7-3-8-15-25)29(28)21-20-24-12-5-2-6-13-24/h2-19,22H,1H3
InChIKey BCKJEEZDHQZDLH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b01198
Molecular Weight 426.577 g/mol
SMILES c1(c(cc(s1)C)-c1c(c(ccc1)-c1ccccc1)C#Cc1ccccc1)-c1ccccc1
SPLASH splash10-08ia-9401800000-f6c1945022651ceb2719
Source of Spectrum J-80-7315-9h
Wiley ID 1806722