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(2R,Ss)-1,3-Benzoxathiole-3-oxide-2-carboxylic acid
SpectraBase Compound ID 17CbXA3wxMg
InChI InChI=1S/C8H6O4S/c9-7(10)8-12-5-3-1-2-4-6(5)13(8)11/h1-4,8H,(H,9,10)/t8-,13?/m1/s1
InChIKey MLFLRJRPOLFPDK-UOGPZTOASA-N
Mol Weight 198.19 g/mol
Molecular Formula C8H6O4S
Exact Mass 197.99868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9XLEZlfu8Q
Name (2R,Ss)-1,3-Benzoxathiole-3-oxide-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O4S
InChI InChI=1S/C8H6O4S/c9-7(10)8-12-5-3-1-2-4-6(5)13(8)11/h1-4,8H,(H,9,10)/t8-,13?/m1/s1
InChIKey MLFLRJRPOLFPDK-UOGPZTOASA-N
Molecular Weight 198.192 g/mol
SMILES OC([C@]1(S(c2c(cccc2)O1)=O)[H])=O
SPLASH splash10-0002-8900000000-f4464af46f53d4d9d4e3
Source of Spectrum F-57-10373-12
Synonyms (2R)-3-oxo-1,3$l^{4}-benzoxathiole-2-carboxylic acid (2R)-3-oxidanylidene-1,3$l^{4}-benzoxathiole-2-carboxylic acid
Wiley ID 1626836