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4,8-Dibromo-2,6-bis(phenylethynyl)bicyclo[3.3.1]nona-2,6-diene
SpectraBase Compound ID DUrTFymi6wg
InChI InChI=1S/C25H18Br2/c26-24-15-20(13-11-18-7-3-1-4-8-18)22-17-23(24)21(16-25(22)27)14-12-19-9-5-2-6-10-19/h1-10,15-16,22-25H,17H2
InChIKey DHMWLQROSHXNNJ-UHFFFAOYSA-N
Mol Weight 478.23 g/mol
Molecular Formula C25H18Br2
Exact Mass 475.977527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAaOpmY2Q33
Name 4,8-Dibromo-2,6-bis(phenylethynyl)bicyclo[3.3.1]nona-2,6-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18Br2
InChI InChI=1S/C25H18Br2/c26-24-15-20(13-11-18-7-3-1-4-8-18)22-17-23(24)21(16-25(22)27)14-12-19-9-5-2-6-10-19/h1-10,15-16,22-25H,17H2
InChIKey DHMWLQROSHXNNJ-UHFFFAOYSA-N
Molecular Weight 478.227 g/mol
SMILES C12C(=CC(C(C(=CC2Br)C#Cc2ccccc2)C1)Br)C#Cc1ccccc1
SPLASH splash10-014i-0219000000-7ce788e1eb4474f41eef
Source of Spectrum U-1996-993-8
Wiley ID 768549