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2-keto-5-methyl-1,3-oxathiole-4-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

2-keto-5-methyl-1,3-oxathiole-4-carboxylic acid methyl ester
SpectraBase Compound ID CSsykU8eN37
InChI InChI=1S/C6H6O4S/c1-3-4(5(7)9-2)11-6(8)10-3/h1-2H3
InChIKey KRYWTNLOSKXSIF-UHFFFAOYSA-N
Mol Weight 174.17 g/mol
Molecular Formula C6H6O4S
Exact Mass 173.99868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcOp0icjE4O
Name 2-keto-5-methyl-1,3-oxathiole-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O4S
InChI InChI=1S/C6H6O4S/c1-3-4(5(7)9-2)11-6(8)10-3/h1-2H3
InChIKey KRYWTNLOSKXSIF-UHFFFAOYSA-N
Molecular Weight 174.170 g/mol
SMILES C=1(SC(=O)OC1C)C(=O)OC
SPLASH splash10-0fki-4900000000-6c4485d170414cd54cfa
Source of Spectrum H1-50-690-7
Synonyms 5-Methyl-2-oxo-1,3-oxathiole-4-carboxylic acid methyl ester Methyl 5-methyl-2-oxidanylidene-1,3-oxathiole-4-carboxylate Methyl 5-methyl-2-oxo-1,3-oxathiole-4-carboxylate
Wiley ID 816917