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(3aS,8bS)-7-hydroxy-8-(4-methylphenyl)sulfonyl-3a,8b-dihydro-3H-furo[3,2-b]benzofuran-2-one
SpectraBase Compound ID BIrpKyqb15t
InChI InChI=1S/C17H14O6S/c1-9-2-4-10(5-3-9)24(20,21)17-11(18)6-7-12-15(17)16-13(22-12)8-14(19)23-16/h2-7,13,16,18H,8H2,1H3/t13-,16+/m0/s1
InChIKey MSGRILAFVNUCAG-XJKSGUPXSA-N
Mol Weight 346.35 g/mol
Molecular Formula C17H14O6S
Exact Mass 346.051109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4I36YqrECrf
Name (3aS,8bS)-7-hydroxy-8-(4-methylphenyl)sulfonyl-3a,8b-dihydro-3H-furo[3,2-b]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O6S
InChI InChI=1S/C17H14O6S/c1-9-2-4-10(5-3-9)24(20,21)17-11(18)6-7-12-15(17)16-13(22-12)8-14(19)23-16/h2-7,13,16,18H,8H2,1H3/t13-,16+/m0/s1
InChIKey MSGRILAFVNUCAG-XJKSGUPXSA-N
Molecular Weight 346.353 g/mol
SMILES Oc1c(c2[C@]3([C@@](CC(O3)=O)([H])Oc2cc1)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0002-0029000000-eecef9f0ecc5f7975441
Source of Spectrum QC-6-268-4
Synonyms (3aS,8bS)-7-hydroxy-8-(4-methylphenyl)sulfonyl-3a,8b-dihydro-3H-furo[3,2-b][1]benzofuran-2-one (3aS,8bS)-7-hydroxy-8-(p-tolylsulfonyl)-3a,8b-dihydro-3H-furo[3,2-b]benzofuran-2-one (3aS,8bS)-7-hydroxy-8-tosyl-3a,8b-dihydro-3H-furo[3,2-b]benzofuran-2-one (3aS,8bS)-8-(4-methylphenyl)sulfonyl-7-oxidanyl-3a,8b-dihydro-3H-furo[3,2-b][1]benzofuran-2-one
Wiley ID 868734