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2,3-bis(Phenylethynyl)-corrannulene

View entire compound with spectra: 1 MS (GC)

2,3-bis(Phenylethynyl)-corrannulene
SpectraBase Compound ID 8WcwcSaScyi
InChI InChI=1S/C36H18/c1-3-7-23(8-4-1)11-13-27-21-29-19-17-25-15-16-26-18-20-30-22-28(14-12-24-9-5-2-6-10-24)31(27)36-34(29)32(25)33(26)35(30)36/h1-10,15-22H
InChIKey PHXJUQOQMNIMKY-UHFFFAOYSA-N
Mol Weight 450.5 g/mol
Molecular Formula C36H18
Exact Mass 450.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91YfScudK0O
Name 2,3-bis(Phenylethynyl)-corrannulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H18
InChI InChI=1S/C36H18/c1-3-7-23(8-4-1)11-13-27-21-29-19-17-25-15-16-26-18-20-30-22-28(14-12-24-9-5-2-6-10-24)31(27)36-34(29)32(25)33(26)35(30)36/h1-10,15-22H
InChIKey PHXJUQOQMNIMKY-UHFFFAOYSA-N
Molecular Weight 450.540 g/mol
SMILES c12c3c4c5cc(c3c(C#Cc3ccccc3)cc1ccc1c2c4c(cc5)cc1)C#Cc1ccccc1
SPLASH splash10-0udi-0012900000-9189e3db6077860f69e7
Source of Spectrum C-128-6882-27a
Wiley ID 1701717