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1,3-Dibenzoyl-5,6-trans-dibromo-4,5,6,7-tetrahydro-4,7-methano-2-benzothiophene
SpectraBase Compound ID 4FThFuKWI6S
InChI InChI=1S/C23H16Br2O2S/c24-18-14-11-15(19(18)25)17-16(14)22(20(26)12-7-3-1-4-8-12)28-23(17)21(27)13-9-5-2-6-10-13/h1-10,14-15,18-19H,11H2/t14-,15+,18-,19-/m0/s1
InChIKey LVBYHSXSSWWGBF-UHFFFAOYSA-N
Mol Weight 516.25 g/mol
Molecular Formula C23H16Br2O2S
Exact Mass 513.923777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtPQmTqzxxT
Name 1,3-Dibenzoyl-5,6-trans-dibromo-4,5,6,7-tetrahydro-4,7-methano-2-benzothiophene
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Formula C23H16Br2O2S
InChI InChI=1S/C23H16Br2O2S/c24-18-14-11-15(19(18)25)17-16(14)22(20(26)12-7-3-1-4-8-12)28-23(17)21(27)13-9-5-2-6-10-13/h1-10,14-15,18-19H,11H2/t14-,15+,18-,19+
InChIKey LVBYHSXSSWWGBF-UHFFFAOYSA-N
Molecular Weight 516.247 g/mol
SMILES c12c(c(C(=O)c3ccccc3)sc1C(=O)c1ccccc1)[C@]1(C[C@@]2([C@@]([C@@]1(Br)[H])(Br)[H])[H])[H]
SPLASH splash10-0a4r-0801900000-eac06b1e41f0577142db
Source of Spectrum AJ-72-1602-29
Synonyms 1,3-Dibenzoyl-5,6-exo,cis-dibromo-4,5,6,7-tetrahydro-4,7-methano-2-benzothiophene (5-benzoyl-8,9-dibromo-4-thiatricyclo[5.2.1.0(2,6)]deca-2,5-dien-3-yl)(phenyl)methanone
Wiley ID 775046