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5-exo,8-anti-Dibromo-4,5,6,7-tetrahydro-4,7-methano-1,3-diphenylisobenzofuran
SpectraBase Compound ID CjlFh0FVwEQ
InChI InChI=1S/C21H16Br2O/c22-15-11-14-16-18(17(15)19(14)23)21(13-9-5-2-6-10-13)24-20(16)12-7-3-1-4-8-12/h1-10,14-15,17,19H,11H2/t14-,15+,17+,19?/m0/s1
InChIKey ILTCXVVCBCFBGT-WBYVFCMLSA-N
Mol Weight 444.17 g/mol
Molecular Formula C21H16Br2O
Exact Mass 441.956791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HHUHiH7aXI
Name 5-exo,8-anti-Dibromo-4,5,6,7-tetrahydro-4,7-methano-1,3-diphenylisobenzofuran
Comments Less than 3 mono-isotopic peaks
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Formula C21H16Br2O
InChI InChI=1S/C21H16Br2O/c22-15-11-14-16-18(17(15)19(14)23)21(13-9-5-2-6-10-13)24-20(16)12-7-3-1-4-8-12/h1-10,14-15,17,19H,11H2/t14-,15+,17+,19?/m0/s1
InChIKey ILTCXVVCBCFBGT-WBYVFCMLSA-N
Molecular Weight 444.166 g/mol
SMILES c12c(c(-c3ccccc3)oc1-c1ccccc1)[C@]1(C([C@@]2([C@@](C1)(Br)[H])[H])Br)[H]
SPLASH splash10-000y-0040900000-114ca18724b7b5705b6b
Source of Spectrum AJ-72-1600-25
Synonyms 8,10-dibromo-3,5-diphenyl-4-oxatricyclo[5.2.1.0(2,6)]deca-2,5-diene
Wiley ID 775050