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11,11-Dibromo-8,9,10,11-tetrahydro-6H,12H-cyclohepta[a]phenalene-6,12-dione
SpectraBase Compound ID 7SmFNt4kpxd
InChI InChI=1S/C18H12Br2O2/c19-18(20)8-2-4-11-9-13-14(21)7-6-10-3-1-5-12(15(10)13)16(11)17(18)22/h1,3,5-7,9H,2,4,8H2
InChIKey QXSVYNNXOLQDJJ-UHFFFAOYSA-N
Mol Weight 420.1 g/mol
Molecular Formula C18H12Br2O2
Exact Mass 417.920406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nqNi5prIIH
Name 11,11-Dibromo-8,9,10,11-tetrahydro-6H,12H-cyclohepta[a]phenalene-6,12-dione
Comments Less than 3 mono-isotopic peaks
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Formula C18H12Br2O2
InChI InChI=1S/C18H12Br2O2/c19-18(20)8-2-4-11-9-13-14(21)7-6-10-3-1-5-12(15(10)13)16(11)17(18)22/h1,3,5-7,9H,2,4,8H2
InChIKey QXSVYNNXOLQDJJ-UHFFFAOYSA-N
Molecular Weight 420.100 g/mol
SMILES c12c3c(cccc3C=CC1=O)c1c(c2)CCCC(C1=O)(Br)Br
SPLASH splash10-001i-0090400000-21aca4d8024055d5e573
Source of Spectrum AJ-64-978-11
Synonyms 11,11-dibromo-8,9,10,11-tetrahydrocyclohepta[a]phenalene-6,12-dione 11,11-Dibromo-8,9,10,11-tetrahydrocyclohepta[a]phenanlene-6,12-dione
Wiley ID 1377023