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(3R,Rs)-[3,4-Dihydroxy-6-(p-tolylsulfinyl)methyl-2H-pyran-3-yl]methyl p-toluenesulfonate
SpectraBase Compound ID 7pSfoT2duBI
InChI InChI=1S/C21H24O5S2/c1-16-3-9-20(10-4-16)27(22)15-19-8-7-18(13-25-19)14-26-28(23,24)21-11-5-17(2)6-12-21/h3-6,8-12,18H,7,13-15H2,1-2H3/t18-,27?/m1/s1
InChIKey JYLBDFGMKHCCFI-XZATXCMXSA-N
Mol Weight 420.54 g/mol
Molecular Formula C21H24O5S2
Exact Mass 420.106516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0TFI9svAZe
Name (3R,Rs)-[3,4-Dihydroxy-6-(p-tolylsulfinyl)methyl-2H-pyran-3-yl]methyl p-toluenesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C21H24O5S2
InChI InChI=1S/C21H24O5S2/c1-16-3-9-20(10-4-16)27(22)15-19-8-7-18(13-25-19)14-26-28(23,24)21-11-5-17(2)6-12-21/h3-6,8-12,18H,7,13-15H2,1-2H3/t18-,27?/m1/s1
InChIKey JYLBDFGMKHCCFI-XZATXCMXSA-N
Molecular Weight 420.538 g/mol
SMILES c1(S(OC[C@]2(COC(CS(c3ccc(cc3)C)=O)=CC2)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0a4i-0900000000-839d957912fc722210f0
Source of Spectrum E1-44-1150-8
Wiley ID 1553414