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2H-Benzoxathiol-2-one, 4-isopropyl-7-methyl-6-phenylsulfonyloxy-
SpectraBase Compound ID 3fNbjqctIZY
InChI InChI=1S/C17H16O5S2/c1-10(2)13-9-14(11(3)15-16(13)23-17(18)21-15)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey LJYQDCQDNLNMMB-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 2ChVTyNi707
Name 2H-Benzoxathiol-2-one, 4-isopropyl-7-methyl-6-phenylsulfonyloxy-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O5S2
InChI InChI=1S/C17H16O5S2/c1-10(2)13-9-14(11(3)15-16(13)23-17(18)21-15)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey LJYQDCQDNLNMMB-UHFFFAOYSA-N
Molecular Weight 364.430 g/mol
SMILES c1ccc(S(Oc2c(c3OC(=O)Sc3c(c2)C(C)C)C)(=O)=O)cc1
SPLASH splash10-0g2c-9210000000-ab6c5d42d1174cf23179
Synonyms (4-isopropyl-7-methyl-2-oxo-1,3-benzoxathiol-6-yl) benzenesulfonate (7-methyl-2-oxidanylidene-4-propan-2-yl-1,3-benzoxathiol-6-yl) benzenesulfonate (7-methyl-2-oxo-4-propan-2-yl-1,3-benzoxathiol-6-yl) benzenesulfonate benzenesulfonic acid (4-isopropyl-2-keto-7-methyl-1,3-benzoxathiol-6-yl) ester benzenesulfonic acid (7-methyl-2-oxo-4-propan-2-yl-1,3-benzoxathiol-6-yl) ester
Wiley ID 1440006