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7-isopropyl-4-methyl-2-oxo-1,3-benzoxathiol-5-yl benzenesulfonate
SpectraBase Compound ID J3vkfSe2eZb
InChI InChI=1S/C17H16O5S2/c1-10(2)13-9-14(11(3)16-15(13)21-17(18)23-16)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey CKZMPAGEHWJTBY-UHFFFAOYSA-N
Mol Weight 364.43 g/mol
Molecular Formula C17H16O5S2
Exact Mass 364.043916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KngU0e0cCoY
Name (4-methyl-2-oxidanylidene-7-propan-2-yl-1,3-benzoxathiol-5-yl) benzenesulfonate
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Formula C17H16O5S2
InChI InChI=1S/C17H16O5S2/c1-10(2)13-9-14(11(3)16-15(13)21-17(18)23-16)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey CKZMPAGEHWJTBY-UHFFFAOYSA-N
Molecular Weight 364.430 g/mol
SMILES c1c(c(c2c(c1C(C)C)OC(S2)=O)C)OS(=O)(=O)c1ccccc1
SPLASH splash10-00fr-9220000000-c6797918641ac02628fa
Synonyms (4-methyl-2-oxo-7-propan-2-yl-1,3-benzoxathiol-5-yl) benzenesulfonate (7-isopropyl-4-methyl-2-oxo-1,3-benzoxathiol-5-yl) benzenesulfonate benzenesulfonic acid (4-methyl-2-oxo-7-propan-2-yl-1,3-benzoxathiol-5-yl) ester benzenesulfonic acid (7-isopropyl-2-keto-4-methyl-1,3-benzoxathiol-5-yl) ester
Wiley ID 1467074