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(S)-.alpha.-[(diphenylphosphinothioyl)methyl]-N,N-bis(phenylmethyl)benzeneethaneamine
SpectraBase Compound ID EFI4eGjR0Sc
InChI InChI=1S/C35H34NPS/c38-37(34-22-12-4-13-23-34,35-24-14-5-15-25-35)29-33(26-30-16-6-1-7-17-30)36(27-31-18-8-2-9-19-31)28-32-20-10-3-11-21-32/h1-25,33H,26-29H2/t33-/m0/s1
InChIKey FKFHMZJYPMTBGI-XIFFEERXSA-N
Mol Weight 531.7 g/mol
Molecular Formula C35H34NPS
Exact Mass 531.214958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RcoTegLbYU
Name (S)-.alpha.-[(diphenylphosphinothioyl)methyl]-N,N-bis(phenylmethyl)benzeneethaneamine
Comments Computed using HOSE algorithm
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Exact Mass 531.214958271 u
Formula C35H34NPS
InChI InChI=1S/C35H34NPS/c38-37(34-22-12-4-13-23-34,35-24-14-5-15-25-35)29-33(26-30-16-6-1-7-17-30)36(27-31-18-8-2-9-19-31)28-32-20-10-3-11-21-32/h1-25,33H,26-29H2/t33-/m0/s1
InChIKey FKFHMZJYPMTBGI-XIFFEERXSA-N
Molecular Weight 531.698 g/mol
SMILES C(P(=S)(C1=CC=CC=C1)C=1C=CC=CC1)[C@@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)(CC=1C=CC=CC1)[H]