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(2S.3R)-1-Diphenylphosphinoyl-2-propylhexan-3-yl benzoate
SpectraBase Compound ID 3uxh1zYZutY
InChI InChI=1S/C28H33O3P/c1-3-14-24(27(15-4-2)31-28(29)23-16-8-5-9-17-23)22-32(30,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,24,27H,3-4,14-15,22H2,1-2H3/t24-,27-/m1/s1
InChIKey QIGLOONSAGWNDK-SHQCIBLASA-N
Mol Weight 448.5 g/mol
Molecular Formula C28H33O3P
Exact Mass 448.216732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWZb426EEO9
Name (2S.3R)-1-Diphenylphosphinoyl-2-propylhexan-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33O3P
InChI InChI=1S/C28H33O3P/c1-3-14-24(27(15-4-2)31-28(29)23-16-8-5-9-17-23)22-32(30,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,24,27H,3-4,14-15,22H2,1-2H3/t24-,27-/m1/s1
InChIKey QIGLOONSAGWNDK-SHQCIBLASA-N
Molecular Weight 448.543 g/mol
SMILES C(P(=O)(c1ccccc1)c1ccccc1)[C@]([C@](OC(=O)c1ccccc1)(CCC)[H])(CCC)[H]
SPLASH splash10-0pb9-0950100000-19e247bec6dda51bfb6e
Source of Spectrum KC-0-3430-22
Synonyms (1R,2S)-2-[(diphenylphosphoryl)methyl]-1-propylpentyl benzoate
Wiley ID 829554