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2,10-Bis(2-bromo-4-phenylbut-1-en-3-ynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene

View entire compound with spectra: 1 MS (GC)

2,10-Bis(2-bromo-4-phenylbut-1-en-3-ynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID 6xjHh8Nvdqd
InChI InChI=1S/C31H20Br2/c32-29(19-17-24-9-3-1-4-10-24)22-27-15-7-13-26-14-8-16-28(31(27)21-26)23-30(33)20-18-25-11-5-2-6-12-25/h1-16,22-23H,21H2/b29-22-,30-23-
InChIKey NBEVDKZJLXJNLJ-TVUQKFFQSA-N
Mol Weight 552.31 g/mol
Molecular Formula C31H20Br2
Exact Mass 549.993177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9e4efMJD2oC
Name 2,10-Bis(2-bromo-4-phenylbut-1-en-3-ynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Comments Less than 3 mono-isotopic peaks
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Formula C31H20Br2
InChI InChI=1S/C31H20Br2/c32-29(19-17-24-9-3-1-4-10-24)22-27-15-7-13-26-14-8-16-28(31(27)21-26)23-30(33)20-18-25-11-5-2-6-12-25/h1-16,22-23H,21H2/b29-22-,30-23-
InChIKey NBEVDKZJLXJNLJ-TVUQKFFQSA-N
Molecular Weight 552.309 g/mol
SMILES C12=C(C=CC=C(C=CC=C2\C=C\(C#Cc2ccccc2)Br)C1)\C=C\(C#Cc1ccccc1)Br
SPLASH splash10-0006-0009030000-d08a9a77f5bc694e429b
Source of Spectrum SO-0-1509-9
Synonyms 2,10-bis[(1Z)-2-bromo-4-phenyl-1-buten-3-ynyl]bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Wiley ID 1546098