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4-Bromoazupyrene
SpectraBase Compound ID 8vmpa1FI5bt
InChI InChI=1S/C16H9Br/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(11)15(10)12/h1-9H
InChIKey ANCCLQNKADUVNJ-UHFFFAOYSA-N
Mol Weight 281.15 g/mol
Molecular Formula C16H9Br
Exact Mass 279.988763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ah9mgP6uJoc
Name 4-Bromoazupyrene
CAS Registry Number 109801-99-2
Comments Less than 3 mono-isotopic peaks
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Formula C16H9Br
InChI InChI=1S/C16H9Br/c17-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(11)15(10)12/h1-9H
InChIKey ANCCLQNKADUVNJ-UHFFFAOYSA-N
Molecular Weight 281.152 g/mol
SMILES c12c3c4cc(cc2ccc1cccc3cc4)Br
SPLASH splash10-0f89-0090000000-2491db7f72ae9dd0a71f
Source of Spectrum J-52-4393-5
Synonyms 4-bromodicyclopenta[ef,kl]heptalene
Wiley ID 1283879