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(2S,3S,6R)-6-Benzenesulphonyloxy-2,3-epoxy-7-(4-fluorophenoxy)heptan-1-ol
SpectraBase Compound ID GjjSE4jLOAU
InChI InChI=1S/C19H21FO6S/c20-14-6-8-15(9-7-14)24-13-16(10-11-18-19(12-21)25-18)26-27(22,23)17-4-2-1-3-5-17/h1-9,16,18-19,21H,10-13H2/t16-,18+,19+/m1/s1
InChIKey LXNYSODOKHILGX-NEWSRXKRSA-N
Mol Weight 396.43 g/mol
Molecular Formula C19H21FO6S
Exact Mass 396.104288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsmgPPoVtj9
Name (2S,3S,6R)-6-Benzenesulphonyloxy-2,3-epoxy-7-(4-fluorophenoxy)heptan-1-ol
Alternate Name(s) 2,3-anhydro-4,5-dideoxy-7-O-(4-fluorophenyl)-6-O-(phenylsulfonyl)-L-arabino-heptitol benzenesulfonic acid [(2R)-1-(4-fluorophenoxy)-4-[(2S,3S)-3-(hydroxymethyl)-2-oxiranyl]butan-2-yl] ester [(2R)-1-(4-fluorophenoxy)-4-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]butan-2-yl] benzenesulfonate [(1R)-1-[(4-fluorophenoxy)methyl]-3-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]propyl] benzenesulfonate [(2R)-1-(4-fluoranylphenoxy)-4-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]butan-2-yl] benzenesulfonate
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Formula C19H21FO6S
InChI InChI=1S/C19H21FO6S/c20-14-6-8-15(9-7-14)24-13-16(10-11-18-19(12-21)25-18)26-27(22,23)17-4-2-1-3-5-17/h1-9,16,18-19,21H,10-13H2/t16-,18+,19+/m1/s1
InChIKey LXNYSODOKHILGX-NEWSRXKRSA-N
Molecular Weight 396.429 g/mol
SMILES OC[C@]1([C@](CC[C@](COc2ccc(cc2)F)(OS(=O)(=O)c2ccccc2)[H])(O1)[H])[H]
SPLASH splash10-004m-9300000000-cc48f61689d9b250fdfb
Source of Spectrum KD-14-1368-15
Wiley ID 1636080