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(2R,3S,6R)-6-Benzenesulphonyloxy-1-chloro-2,3-epoxy-7-(4-fluorophenoxy)heptane

View entire compound with spectra: 1 MS (GC)

(2R,3S,6R)-6-Benzenesulphonyloxy-1-chloro-2,3-epoxy-7-(4-fluorophenoxy)heptane
SpectraBase Compound ID AoOVa3vMAQC
InChI InChI=1S/C19H20ClFO5S/c20-12-19-18(25-19)11-10-16(13-24-15-8-6-14(21)7-9-15)26-27(22,23)17-4-2-1-3-5-17/h1-9,16,18-19H,10-13H2/t16-,18+,19+/m1/s1
InChIKey BCWGMWZHCYRHDR-NEWSRXKRSA-N
Mol Weight 414.88 g/mol
Molecular Formula C19H20ClFO5S
Exact Mass 414.070401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bSjp9ysD3k
Name (2R,3S,6R)-6-Benzenesulphonyloxy-1-chloro-2,3-epoxy-7-(4-fluorophenoxy)heptane
Alternate Name(s) 2,3-anhydro-1-chloro-1,4,5-trideoxy-7-O-(4-fluorophenyl)-6-O-(phenylsulfonyl)-L-arabino-heptitol benzenesulfonic acid[(1R)-3-[(2S,3R)-3-(chloromethyl)oxiran-2-yl]-1-[(4-fluorophenoxy)methyl]propyl]ester benzenesulfonic acid[(2R)-4-[(2S,3R)-3-(chloromethyl)-2-oxiranyl]-1-(4-fluorophenoxy)butan-2-yl]ester [(1R)-3-[(2S,3R)-3-(chloromethyl)oxiran-2-yl]-1-[(4-fluorophenoxy)methyl]propyl]benzenesulfonate [(2R)-4-[(2S,3R)-3-(chloromethyl)oxiran-2-yl]-1-(4-fluoranylphenoxy)butan-2-yl]benzenesulfonate [(2R)-4-[(2S,3R)-3-(chloromethyl)oxiran-2-yl]-1-(4-fluorophenoxy)butan-2-yl]benzenesulfonate benzenesulfonic acid [(2R)-4-[(2S,3R)-3-(chloromethyl)-2-oxiranyl]-1-(4-fluorophenoxy)butan-2-yl] ester [(2R)-4-[(2S,3R)-3-(chloromethyl)oxiran-2-yl]-1-(4-fluorophenoxy)butan-2-yl] benzenesulfonate [(1R)-3-[(2S,3R)-3-(chloromethyl)oxiran-2-yl]-1-[(4-fluorophenoxy)methyl]propyl] benzenesulfonate [(2R)-4-[(2S,3R)-3-(chloromethyl)oxiran-2-yl]-1-(4-fluoranylphenoxy)butan-2-yl] benzenesulfonate
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Formula C19H20ClFO5S
InChI InChI=1S/C19H20ClFO5S/c20-12-19-18(25-19)11-10-16(13-24-15-8-6-14(21)7-9-15)26-27(22,23)17-4-2-1-3-5-17/h1-9,16,18-19H,10-13H2/t16-,18+,19+/m1/s1
InChIKey BCWGMWZHCYRHDR-NEWSRXKRSA-N
Molecular Weight 414.875 g/mol
SMILES C([C@]1([C@](CC[C@](COc2ccc(cc2)F)(OS(=O)(=O)c2ccccc2)[H])(O1)[H])[H])Cl
SPLASH splash10-004m-9500000000-8e920bedecdc39e1aab6
Source of Spectrum KD-14-1368-3
Wiley ID 1636079