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2-Bromo-11.alpha.-phenyltricyclo[6.2.2.0(1,5)]dodecane-2,5,9-triene-4,7-dione
SpectraBase Compound ID 7gCcDedd1X2
InChI InChI=1S/C18H13BrO2/c19-17-10-16(21)14-9-15(20)12-6-7-18(14,17)13(8-12)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t12?,13-,18?/m0/s1
InChIKey CRQJWCBJOARPGL-XYEKJYRLSA-N
Mol Weight 341.2 g/mol
Molecular Formula C18H13BrO2
Exact Mass 340.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQzsupraKUZ
Name 2-Bromo-11.alpha.-phenyltricyclo[6.2.2.0(1,5)]dodecane-2,5,9-triene-4,7-dione
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Formula C18H13BrO2
InChI InChI=1S/C18H13BrO2/c19-17-10-16(21)14-9-15(20)12-6-7-18(14,17)13(8-12)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8H2/t12?,13-,18?/m0/s1
InChIKey CRQJWCBJOARPGL-XYEKJYRLSA-N
Molecular Weight 341.204 g/mol
SMILES C123C(=CC(=O)C(C=C3)C[C@]1(c1ccccc1)[H])C(=O)C=C2Br
SPLASH splash10-0udi-0903000000-fa0f4319c1c79e79ad77
Source of Spectrum KC-0-3223-23
Synonyms (11S)-2-bromo-11-phenyltricyclo[6.2.2.0(1,5)]dodeca-2,5,9-triene-4,7-dione
Wiley ID 826623