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(2S,4R)-2-diphenylphosphoryl-1-phenyl-4-phenylmethoxy-1-octanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,4R)-2-diphenylphosphoryl-1-phenyl-4-phenylmethoxy-1-octanone
SpectraBase Compound ID KbzpymRaPNM
InChI InChI=1S/C33H35O3P/c1-2-3-20-29(36-26-27-16-8-4-9-17-27)25-32(33(34)28-18-10-5-11-19-28)37(35,30-21-12-6-13-22-30)31-23-14-7-15-24-31/h4-19,21-24,29,32H,2-3,20,25-26H2,1H3/t29-,32+/m1/s1
InChIKey YQGCWZKHMJWHJF-PPTMTGTBSA-N
Mol Weight 510.6 g/mol
Molecular Formula C33H35O3P
Exact Mass 510.232382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOUokj1JztH
Name (2S,4R)-2-Diphenylphosphoryl-1-phenyl-4-phenylmethoxy-1-octanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.232381982 u
Formula C33H35O3P
InChI InChI=1S/C33H35O3P/c1-2-3-20-29(36-26-27-16-8-4-9-17-27)25-32(33(34)28-18-10-5-11-19-28)37(35,30-21-12-6-13-22-30)31-23-14-7-15-24-31/h4-19,21-24,29,32H,2-3,20,25-26H2,1H3/t29-,32+/m1/s1
InChIKey YQGCWZKHMJWHJF-PPTMTGTBSA-N
Molecular Weight 510.614 g/mol
SMILES [C@](P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)(C(=O)C1=CC=CC=C1)(C[C@](OCC=1C=CC=CC1)(CCCC)[H])[H]