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3-BROMO-2-[1,2-DIBROMO-2-(4-METHYLPHENYL)-ETHYL]-CHROMONE
SpectraBase Compound ID G5ZmQDUxWAz
InChI InChI=1S/C18H13Br3O2/c1-10-6-8-11(9-7-10)14(19)15(20)18-16(21)17(22)12-4-2-3-5-13(12)23-18/h2-9,14-15H,1H3/t14-,15-/m1/s1
InChIKey APNRWYCIWKBXKE-HUUCEWRRSA-N
Mol Weight 501.01 g/mol
Molecular Formula C18H13Br3O2
Exact Mass 497.846569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sZVW3EYsmT
Name 2-[(1S,2R)-1,2-bis(bromanyl)-2-(4-methylphenyl)ethyl]-3-bromanyl-chromen-4-one
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Formula C18H13Br3O2
InChI InChI=1S/C18H13Br3O2/c1-10-6-8-11(9-7-10)14(19)15(20)18-16(21)17(22)12-4-2-3-5-13(12)23-18/h2-9,14-15H,1H3/t14-,15-/m1/s1
InChIKey APNRWYCIWKBXKE-HUUCEWRRSA-N
Molecular Weight 501.012 g/mol
SMILES C1(=C(C(=O)c2c(O1)cccc2)Br)[C@@]([C@@](c1ccc(cc1)C)(Br)[H])(Br)[H]
SPLASH splash10-03dl-1395000000-ab63a3dd88c58a8b55c7
Source of Spectrum AH-135-302-3
Synonyms 3-Bromo-2-[(1S,2R)-1,2-dibromo-2-(4-methylphenyl)ethyl]-1-benzopyran-4-one 3-Bromo-2-[(1S,2R)-1,2-dibromo-2-(4-methylphenyl)ethyl]chromen-4-one 3-Bromo-2-[(1S,2R)-1,2-dibromo-2-(p-tolyl)ethyl]chromen-4-one 3-Bromo-2-[(1S,2R)-1,2-dibromo-2-(p-tolyl)ethyl]chromone
Wiley ID 1576433