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2H-Thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester
SpectraBase Compound ID 3MiAUCihAfX
InChI InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChIKey MCUXKFHPGMEIIW-UHFFFAOYSA-N
Mol Weight 174.21 g/mol
Molecular Formula C7H10O3S
Exact Mass 174.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WiE03NqfWT
Name 4-ketotetrahydrothiopyran-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O3S
InChI InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChIKey MCUXKFHPGMEIIW-UHFFFAOYSA-N
Molecular Weight 174.214 g/mol
SMILES C1(C(=O)OC)C(=O)CCSC1
SPLASH splash10-00xr-0900000000-bfbd9b809feb04d85d30
Source of Spectrum F-47-4856-0
Synonyms 4-Oxo-3-thianecarboxylic acid methyl ester Methyl 4-oxidanylidenethiane-3-carboxylate Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate Methyl 4-oxotetrahydrothiopyran-3-carboxylate Methyl 4-oxothiane-3-carboxylate
Wiley ID 1170116