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N-[(1S)-1-(3-Methylphenyl)-ethyl]-p,p-diphenylphosphinic-amide
SpectraBase Compound ID JRNt34e4tlc
InChI InChI=1S/C21H22NOP/c1-17-10-9-11-19(16-17)18(2)22-24(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16,18H,1-2H3,(H,22,23)/t18-/m0/s1
InChIKey FVQWQENAXWIOCF-SFHVURJKSA-N
Mol Weight 335.39 g/mol
Molecular Formula C21H22NOP
Exact Mass 335.143901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDV3K1Un3dC
Name N-[(1S)-1-(3-Methylphenyl)-ethyl]-p,p-diphenylphosphinic-amide
Comments Computed using HOSE algorithm
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Exact Mass 335.143901329 u
Formula C21H22NOP
InChI InChI=1S/C21H22NOP/c1-17-10-9-11-19(16-17)18(2)22-24(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16,18H,1-2H3,(H,22,23)/t18-/m0/s1
InChIKey FVQWQENAXWIOCF-SFHVURJKSA-N
Molecular Weight 335.387 g/mol
SMILES [C@@](NP(=O)(C1=CC=CC=C1)C1=CC=CC=C1)(C)(C1=CC(=CC=C1)C)[H]