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5,9-Methano-7H-benzocyclohepten-7-one, 6,8-dibromo-5,6,8,9-tetrahydro-, (5.alpha.,6.alpha.,8.beta.,9.alpha.)-(.+-.)-
SpectraBase Compound ID CwyknKb60Fa
InChI InChI=1S/C12H10Br2O/c13-10-8-5-9(11(14)12(10)15)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+,10-,11+
InChIKey PIBHNOIQFSKLMI-DTIDVZRVSA-N
Mol Weight 330.02 g/mol
Molecular Formula C12H10Br2O
Exact Mass 327.909841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBPttkqo6Pt
Name 5,9-Methano-7H-benzocyclohepten-7-one, 6,8-dibromo-5,6,8,9-tetrahydro-, (5.alpha.,6.alpha.,8.beta.,9.alpha.)-(.+-.)-
CAS Registry Number 117404-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10Br2O
InChI InChI=1S/C12H10Br2O/c13-10-8-5-9(11(14)12(10)15)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2/t8-,9+,10-,11+
InChIKey PIBHNOIQFSKLMI-DTIDVZRVSA-N
Molecular Weight 330.019 g/mol
SMILES C1([C@]([C@@]2(c3ccccc3[C@]([C@]1(Br)[H])(C2)[H])[H])(Br)[H])=O
SPLASH splash10-0v4i-0930000000-ef6b2373b772c43e7f3c
Source of Spectrum J-54-186-14
Synonyms (1RS,2RS,4RS,5SR)-2,4-dibromo-3-oxo-6,7-benzobicyclo[3.2.1]oct-6-ene (1S,8S,9R,11S)-9,11-dibromotricyclo[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-one
Wiley ID 1325869