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Methyl (1R,3S)-3-Hydroxy-1-phenylpentane-1-sulfonate
SpectraBase Compound ID HnwJJ1XxO19
InChI InChI=1S/C12H18O4S/c1-3-11(13)9-12(17(14,15)16-2)10-7-5-4-6-8-10/h4-8,11-13H,3,9H2,1-2H3/t11-,12+/m0/s1
InChIKey XMVAPCWSKNYKDS-NWDGAFQWSA-N
Mol Weight 258.33 g/mol
Molecular Formula C12H18O4S
Exact Mass 258.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVZp3euQDAX
Name Methyl (1R,3S)-3-Hydroxy-1-phenylpentane-1-sulfonate
Alternate Name(s) (1R,3S)-3-hydroxy-1-phenyl-1-pentanesulfonic acid (1R,3S)-3-hydroxy-1-phenyl-pentane-1-sulfonic acid methyl ester Methyl (1R,3S)-3-oxidanyl-1-phenyl-pentane-1-sulfonate
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Formula C12H18O4S
InChI InChI=1S/C12H18O4S/c1-3-11(13)9-12(17(14,15)16-2)10-7-5-4-6-8-10/h4-8,11-13H,3,9H2,1-2H3/t11-,12+/m0/s1
InChIKey XMVAPCWSKNYKDS-NWDGAFQWSA-N
Molecular Weight 258.332 g/mol
SMILES O[C@](C[C@@](S(=O)(=O)OC)(c1ccccc1)[H])(CC)[H]
SPLASH splash10-0a4i-1900000000-7b5d6bb942b42204b3c9
Source of Spectrum C5-2004-593-3
Wiley ID 1616657