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(5R/S,SS)-5-[3,6-Dihydroxy-2-(p-tolylsulfinylphenyl)]furan-2(5H)-one
SpectraBase Compound ID Di98LxAMoiO
InChI InChI=1S/C17H14O5S/c1-10-2-4-11(5-3-10)23(21)17-13(19)7-6-12(18)16(17)14-8-9-15(20)22-14/h2-9,14,18-19H,1H3/t14-,23?/m1/s1
InChIKey RIFRAKKRRCTKII-PDNQZYNLSA-N
Mol Weight 330.35 g/mol
Molecular Formula C17H14O5S
Exact Mass 330.056195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYpiJm38kbr
Name (5R/S,SS)-5-[3,6-Dihydroxy-2-(p-tolylsulfinylphenyl)]furan-2(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O5S
InChI InChI=1S/C17H14O5S/c1-10-2-4-11(5-3-10)23(21)17-13(19)7-6-12(18)16(17)14-8-9-15(20)22-14/h2-9,14,18-19H,1H3/t14-,23?/m1/s1
InChIKey RIFRAKKRRCTKII-PDNQZYNLSA-N
Molecular Weight 330.354 g/mol
SMILES Oc1c(c(c(cc1)O)S(c1ccc(cc1)C)=O)[C@@]1(OC(=O)C=C1)[H]
SPLASH splash10-001i-0339000000-485f1e4c3ceba2fd666f
Source of Spectrum QC-10-4363-10
Wiley ID 871793