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1,4-Hexanediol, 3-(diphenylphosphinyl)-, (R*,S*)-
SpectraBase Compound ID KjQ1gs48kqj
InChI InChI=1S/C18H23O3P/c1-2-17(20)18(13-14-19)22(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-20H,2,13-14H2,1H3/t17-,18+/m0/s1
InChIKey PWMLFYNBWFQSBH-ZWKOTPCHSA-N
Mol Weight 318.35 g/mol
Molecular Formula C18H23O3P
Exact Mass 318.138482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HS7PSz5XBcM
Name 1,4-Hexanediol, 3-(diphenylphosphinyl)-, (R*,S*)-
CAS Registry Number 101680-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23O3P
InChI InChI=1S/C18H23O3P/c1-2-17(20)18(13-14-19)22(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-20H,2,13-14H2,1H3/t17-,18+/m0/s1
InChIKey PWMLFYNBWFQSBH-ZWKOTPCHSA-N
Molecular Weight 318.353 g/mol
SMILES O[C@]([C@@](CCO)(P(=O)(c1ccccc1)c1ccccc1)[H])(CC)[H]
SPLASH splash10-0fb9-0090000000-4b11ec4413bd9cc9a8ff
Source of Spectrum KC-1988-2976-16
Synonyms (3R,4S)-3-(diphenylphosphoryl)-1,4-hexanediol Threo-3-diphenylphosphinoylhexane-1,4-diol
Wiley ID 1318540