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(1S,2S,3S,5R)-[3-(Diphenylphosphinoyll)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]methanol

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(1S,2S,3S,5R)-[3-(Diphenylphosphinoyll)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]methanol
SpectraBase Compound ID B1Y1xuByHnh
InChI InChI=1S/C22H27O2P/c1-22(2)16-13-20(22)19(15-23)21(14-16)25(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-21,23H,13-15H2,1-2H3/t16-,19-,20+,21+/m1/s1
InChIKey JETRTRJOQNRVTL-DBOLQNLKSA-N
Mol Weight 354.43 g/mol
Molecular Formula C22H27O2P
Exact Mass 354.174867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2NcnBGzCI2
Name (1S,2S,3S,5R)-[3-(Diphenylphosphinoyll)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]methanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.174867105 u
Formula C22H27O2P
InChI InChI=1S/C22H27O2P/c1-22(2)16-13-20(22)19(15-23)21(14-16)25(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-21,23H,13-15H2,1-2H3/t16-,19-,20+,21+/m1/s1
InChIKey JETRTRJOQNRVTL-DBOLQNLKSA-N
Molecular Weight 354.430 g/mol
SMILES [C@]1(P(=O)(C=2C=CC=CC2)C2=CC=CC=C2)([C@@]([C@@]2(C[C@@](C2(C)C)(C1)[H])[H])(CO)[H])[H]