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4'-Bromo-[1,1'-biphenyl]-4-yl p-bromophenyl methanone
SpectraBase Compound ID IugcUzcszeR
InChI InChI=1S/C19H12Br2O/c20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16/h1-12H
InChIKey XLSGBTHTPGKLCA-UHFFFAOYSA-N
Mol Weight 416.11 g/mol
Molecular Formula C19H12Br2O
Exact Mass 413.925491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dAsmI1aLri
Name 4'-Bromo-[1,1'-biphenyl]-4-yl p-bromophenyl methanone
Comments Computed using HOSE algorithm
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Exact Mass 413.925491005 u
Formula C19H12Br2O
InChI InChI=1S/C19H12Br2O/c20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16/h1-12H
InChIKey XLSGBTHTPGKLCA-UHFFFAOYSA-N
Molecular Weight 416.112 g/mol
SMILES C(C1=CC=C(C=C1)C=1C=CC(=CC1)Br)(C1=CC=C(C=C1)Br)=O