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(2-(phenylethynyl)phenyl)methylene)dibenzene
SpectraBase Compound ID L4BSos8bMYu
InChI InChI=1S/C27H20/c1-4-12-22(13-5-1)20-21-23-14-10-11-19-26(23)27(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19,27H
InChIKey KLSGYOHDWSYRFT-UHFFFAOYSA-N
Mol Weight 344.46 g/mol
Molecular Formula C27H20
Exact Mass 344.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FchesGWZqJL
Name (2-(phenylethynyl)phenyl)methylene)dibenzene
Appearance Pale solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20
InChI InChI=1S/C27H20/c1-4-12-22(13-5-1)20-21-23-14-10-11-19-26(23)27(24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19,27H
InChIKey KLSGYOHDWSYRFT-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101682
Molecular Weight 344.457 g/mol
Quality 13
Reported Formula C27H20
SMILES C1(C(C=2C=CC=CC2)C=2C=CC=CC2)=C(C=CC=C1)C#CC1=CC=CC=C1
SPLASH splash10-00kf-0179000000-987258dd4ed4d8b4e4a5
Source of Spectrum ACI-60-SM18-3m (DOI: 10.1002/anie.202101682)
Wiley ID 1891246