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4-Bromophenylammonium alpha-(4-bromophenylamino)benzylphosphonite

View entire compound with spectra: 2 NMR

4-Bromophenylammonium alpha-(4-bromophenylamino)benzylphosphonite
SpectraBase Compound ID C15tO5lEFyq
InChI InChI=1S/C13H13BrNO2P.C6H6BrN/c14-11-6-8-12(9-7-11)15-13(18(16)17)10-4-2-1-3-5-10;7-5-1-3-6(8)4-2-5/h1-9,13,15,18H,(H,16,17);1-4H,8H2
InChIKey XVPZTXWERZAXJN-UHFFFAOYSA-N
Mol Weight 498.15 g/mol
Molecular Formula C19H19Br2N2O2P
Exact Mass 495.955091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GT5azjksLiA
Name 4-Bromophenylammonium alpha-(4-bromophenylamino)benzylphosphonite
Comments Computed using HOSE algorithm
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Exact Mass 495.955090856 u
Formula C19H19Br2N2O2P
InChI InChI=1S/C13H13BrNO2P.C6H6BrN/c14-11-6-8-12(9-7-11)15-13(18(16)17)10-4-2-1-3-5-10;7-5-1-3-6(8)4-2-5/h1-9,13,15,18H,(H,16,17);1-4H,8H2
InChIKey XVPZTXWERZAXJN-UHFFFAOYSA-N
Molecular Weight 498.155 g/mol
SMILES c1([NH3+])ccc(cc1)Br.N(C(P(=O)[O-])c1ccccc1)c1ccc(cc1)Br