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Diphenyl ((benzylamino)(4-chlorophenyl)methyl)phosphonate
SpectraBase Compound ID 5AaIDE66Lxm
InChI InChI=1S/C26H23ClNO3P/c27-23-18-16-22(17-19-23)26(28-20-21-10-4-1-5-11-21)32(29,30-24-12-6-2-7-13-24)31-25-14-8-3-9-15-25/h1-19,26,28H,20H2
InChIKey TZDKYWDOFXKBOL-UHFFFAOYSA-N
Mol Weight 463.9 g/mol
Molecular Formula C26H23ClNO3P
Exact Mass 463.110408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID c22lX8zrQr
Name Diphenyl [(benzylamino)(4-chlorophenyl)methyl]phosphonate
Comments Computed using HOSE algorithm
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Exact Mass 463.110408300 u
Formula C26H23ClNO3P
InChI InChI=1S/C26H23ClNO3P/c27-23-18-16-22(17-19-23)26(28-20-21-10-4-1-5-11-21)32(29,30-24-12-6-2-7-13-24)31-25-14-8-3-9-15-25/h1-19,26,28H,20H2
InChIKey TZDKYWDOFXKBOL-UHFFFAOYSA-N
Molecular Weight 463.901 g/mol
SMILES C=1(OP(OC2=CC=CC=C2)(C(NCC2=CC=CC=C2)C2=CC=C(C=C2)Cl)=O)C=CC=CC1