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3-BROMO-2-[1,2-DIBROMO-2-(4-NITROPHENYL)-ETHYL]-CHROMONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-BROMO-2-[1,2-DIBROMO-2-(4-NITROPHENYL)-ETHYL]-CHROMONE
SpectraBase Compound ID 9SzPu0mMRil
InChI InChI=1S/C17H10Br3NO4/c18-13(9-5-7-10(8-6-9)21(23)24)14(19)17-15(20)16(22)11-3-1-2-4-12(11)25-17/h1-8,13-14H/t13-,14-/m1/s1
InChIKey LGBGDGKLDBZQIP-ZIAGYGMSSA-N
Mol Weight 531.98 g/mol
Molecular Formula C17H10Br3NO4
Exact Mass 528.815997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3SsWmYJJ88
Name 2-[(1S,2R)-1,2-bis(bromanyl)-2-(4-nitrophenyl)ethyl]-3-bromanyl-chromen-4-one
Alternate Name(s) 3-Bromo-2-[(1S,2R)-1,2-dibromo-2-(4-nitrophenyl)ethyl]-1-benzopyran-4-one 3-Bromo-2-[(1S,2R)-1,2-dibromo-2-(4-nitrophenyl)ethyl]chromen-4-one 3-Bromo-2-[(1S,2R)-1,2-dibromo-2-(4-nitrophenyl)ethyl]chromone
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Formula C17H10Br3NO4
InChI InChI=1S/C17H10Br3NO4/c18-13(9-5-7-10(8-6-9)21(23)24)14(19)17-15(20)16(22)11-3-1-2-4-12(11)25-17/h1-8,13-14H/t13-,14-/m1/s1
InChIKey LGBGDGKLDBZQIP-ZIAGYGMSSA-N
Molecular Weight 531.982 g/mol
SMILES C1(=C(C(=O)c2c(O1)cccc2)Br)[C@@]([C@@](c1ccc(N(=O)=O)cc1)(Br)[H])(Br)[H]
SPLASH splash10-006y-1394100000-319b82da5204fb4d96c5
Source of Spectrum AH-135-303-3
Wiley ID 1576429