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N-[(1S)-1-(4-Bromophenyl)-propyl]-p,p-diphenylphosphinic-amide
SpectraBase Compound ID IyxYMixjo2m
InChI InChI=1S/C21H21BrNOP/c1-2-21(17-13-15-18(22)16-14-17)23-25(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,21H,2H2,1H3,(H,23,24)/t21-/m0/s1
InChIKey XJQVIRWVOVEHJK-NRFANRHFSA-N
Mol Weight 414.28 g/mol
Molecular Formula C21H21BrNOP
Exact Mass 413.054414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUGnbEoPxbN
Name N-[(1S)-1-(4-Bromophenyl)-propyl]-p,p-diphenylphosphinic-amide
Comments Computed using HOSE algorithm
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Exact Mass 413.054414297 u
Formula C21H21BrNOP
InChI InChI=1S/C21H21BrNOP/c1-2-21(17-13-15-18(22)16-14-17)23-25(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,21H,2H2,1H3,(H,23,24)/t21-/m0/s1
InChIKey XJQVIRWVOVEHJK-NRFANRHFSA-N
Molecular Weight 414.283 g/mol
SMILES C1(Br)=CC=C([C@](CC)(NP(=O)(C2=CC=CC=C2)C2=CC=CC=C2)[H])C=C1