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2-(hydroxymethyl)-6-(octylthio)oxane-3,4,5-triol
SpectraBase Compound ID Jk5fMEKs6SB
InChI InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14?/m1/s1
InChIKey CGVLVOOFCGWBCS-RRYROLNDSA-N
Mol Weight 308.43 g/mol
Molecular Formula C14H28O5S
Exact Mass 308.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXRxPlddgtr
Name 2-(hydroxymethyl)-6-(octylthio)oxane-3,4,5-triol
Alternate Name(s) 2-(hydroxymethyl)-6-octylsulfanyl-oxane-3,4,5-triol 2-(hydroxymethyl)-6-octylsulfanyl-tetrahydropyran-3,4,5-triol 2-Methylol-6-(octylthio)tetrahydropyran-3,4,5-triol Galactopyranoside, 1-octylthio-1-deoxy- Octyl 1-thiohexopyranoside
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Formula C14H28O5S
InChI InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14?/m1/s1
InChIKey CGVLVOOFCGWBCS-RRYROLNDSA-N
Molecular Weight 308.433 g/mol
SMILES O[C@]1(C(O[C@@]([C@@]([C@@]1(O)[H])(O)[H])(CO)[H])SCCCCCCCC)[H]
SPLASH splash10-0006-9200000000-22475154e52f3ccac825
Wiley ID 1494518