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(4S,5S)-6-(Diethoxyphosphoryl)-6,6-difluoro-5-hydroxy-2-(4-methylphenylthio)hex-1-ene
SpectraBase Compound ID Fck7LTDlc9r
InChI InChI=1S/C17H25F2O4PS/c1-5-8-15(25-14-11-9-13(4)10-12-14)16(20)17(18,19)24(21,22-6-2)23-7-3/h5,9-12,15-16,20H,1,6-8H2,2-4H3/t15-,16+/m0/s1
InChIKey KZSJOYQYJDIGRY-JKSUJKDBSA-N
Mol Weight 394.41 g/mol
Molecular Formula C17H25F2O4PS
Exact Mass 394.117924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZw2DA31r1g
Name (4S,5S)-6-(Diethoxyphosphoryl)-6,6-difluoro-5-hydroxy-2-(4-methylphenylthio)hex-1-ene
Alternate Name(s) (4S,5S)-6-(Diethoxyphosphoryl)-6,6-difluoro-5-hydroxy-4-(4-methylphenylthio)hex-1-ene Diethyl (2S)-1,1-difluoro-2-hydroxy-5-[(4-methylphenyl)sulfanyl]-5-hexenylphosphonate
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Formula C17H25F2O4PS
InChI InChI=1S/C17H25F2O4PS/c1-5-8-15(25-14-11-9-13(4)10-12-14)16(20)17(18,19)24(21,22-6-2)23-7-3/h5,9-12,15-16,20H,1,6-8H2,2-4H3/t15-,16+/m0/s1
InChIKey KZSJOYQYJDIGRY-JKSUJKDBSA-N
Molecular Weight 394.414 g/mol
SMILES O[C@@](C(P(=O)(OCC)OCC)(F)F)([C@@](Sc1ccc(cc1)C)(CC=C)[H])[H]
SPLASH splash10-0007-2971000000-682527df22bf79f2af72
Source of Spectrum SO-0-1517-10
Wiley ID 875910