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2-Oxepanone, 7-[1-(diphenylphosphinyl)ethyl]-, (R*,S*)-(.+-.)-
SpectraBase Compound ID H9C9cmKFz29
InChI InChI=1S/C20H23O3P/c1-16(19-14-8-9-15-20(21)23-19)24(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19+/m1/s1
InChIKey YRDJWRUIXFBKKG-APWZRJJASA-N
Mol Weight 342.37 g/mol
Molecular Formula C20H23O3P
Exact Mass 342.138482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Chn4pKNmBK4
Name 2-Oxepanone, 7-[1-(diphenylphosphinyl)ethyl]-, (R*,S*)-(.+-.)-
Alternate Name(s) (7S)-7-[(1R)-1-(diphenylphosphoryl)ethyl]-2-oxepanone Threo-7-(1-diphenylphosphinoylethyl)-oxepan-2-one
CAS Registry Number 119106-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23O3P
InChI InChI=1S/C20H23O3P/c1-16(19-14-8-9-15-20(21)23-19)24(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-,19+/m1/s1
InChIKey YRDJWRUIXFBKKG-APWZRJJASA-N
Molecular Weight 342.375 g/mol
SMILES [C@@](P(=O)(c1ccccc1)c1ccccc1)([C@]1(OC(=O)CCCC1)[H])(C)[H]
SPLASH splash10-0uxr-0090000000-8baa451b307cd8181f9e
Source of Spectrum KC-1988-1804-0
Wiley ID 1336688