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1-[N,N-bis(2',4'-Dibromophenyl)amino]-2-bromo-4-nitrobenzene
SpectraBase Compound ID 7vhJhVkCtaP
InChI InChI=1S/C18H9Br5N2O2/c19-10-1-4-16(13(21)7-10)24(17-5-2-11(20)8-14(17)22)18-6-3-12(25(26)27)9-15(18)23/h1-9H
InChIKey WTVFLWQPOBXHIM-UHFFFAOYSA-N
Mol Weight 684.8 g/mol
Molecular Formula C18H9Br5N2O2
Exact Mass 679.658093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiYmbPPxdrc
Name 1-[N,N-bis(2',4'-Dibromophenyl)amino]-2-bromo-4-nitrobenzene
Comments Computed using HOSE algorithm
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Exact Mass 679.658092536 u
Formula C18H9Br5N2O2
InChI InChI=1S/C18H9Br5N2O2/c19-10-1-4-16(13(21)7-10)24(17-5-2-11(20)8-14(17)22)18-6-3-12(25(26)27)9-15(18)23/h1-9H
InChIKey WTVFLWQPOBXHIM-UHFFFAOYSA-N
Molecular Weight 684.802 g/mol
SMILES C=1(N(C=2C(=CC(=CC2)Br)Br)C=2C(=CC(=CC2)Br)Br)C(=CC(N(=O)=O)=CC1)Br