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4-[(4-bromophenoxy)methyl]-N-(2-bromophenyl)benzamide
SpectraBase Compound ID 96PIsBz92Yr
InChI InChI=1S/C20H15Br2NO2/c21-16-9-11-17(12-10-16)25-13-14-5-7-15(8-6-14)20(24)23-19-4-2-1-3-18(19)22/h1-12H,13H2,(H,23,24)
InChIKey FBOCTXBLXGVYAK-UHFFFAOYSA-N
Mol Weight 461.15 g/mol
Molecular Formula C20H15Br2NO2
Exact Mass 458.946955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1CARfvwZXA
Name 4-[(4-Bromophenoxy)methyl]-N-(2-bromophenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 458.946954725 u
Formula C20H15Br2NO2
InChI InChI=1S/C20H15Br2NO2/c21-16-9-11-17(12-10-16)25-13-14-5-7-15(8-6-14)20(24)23-19-4-2-1-3-18(19)22/h1-12H,13H2,(H,23,24)
InChIKey FBOCTXBLXGVYAK-UHFFFAOYSA-N
Molecular Weight 461.153 g/mol
SMILES N(C(C1=CC=C(C=C1)COC=1C=CC(=CC1)Br)=O)C1=C(Br)C=CC=C1