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(2S,3S,4S)-4-diphenylphosphoryl-2,5-dimethyl-hexane-1,3-diol

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(2S,3S,4S)-4-diphenylphosphoryl-2,5-dimethyl-hexane-1,3-diol
SpectraBase Compound ID HG6wlLR5nc5
InChI InChI=1S/C20H27O3P/c1-15(2)20(19(22)16(3)14-21)24(23,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16,19-22H,14H2,1-3H3/t16-,19-,20-/m0/s1
InChIKey YRCAEKBWVPQMCJ-VDGAXYAQSA-N
Mol Weight 346.41 g/mol
Molecular Formula C20H27O3P
Exact Mass 346.169782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmmCb2D1UoO
Name (2S,3S,4S)-4-Diphenylphosphoryl-2,5-dimethyl-hexane-1,3-diol
Comments Computed using HOSE algorithm
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Exact Mass 346.169781724 u
Formula C20H27O3P
InChI InChI=1S/C20H27O3P/c1-15(2)20(19(22)16(3)14-21)24(23,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16,19-22H,14H2,1-3H3/t16-,19-,20-/m0/s1
InChIKey YRCAEKBWVPQMCJ-VDGAXYAQSA-N
Molecular Weight 346.407 g/mol
SMILES [C@](P(=O)(C=1C=CC=CC1)C1=CC=CC=C1)([C@]([C@](CO)(C)[H])(O)[H])(C(C)C)[H]