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Methyl 5-oxo-1-thiacyclohexan-3-carboxylate
SpectraBase Compound ID 4JPKs4sA1C
InChI InChI=1S/C7H10O3S/c1-10-7(9)5-2-6(8)4-11-3-5/h5H,2-4H2,1H3
InChIKey STXHUPDJZBJSLQ-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 3k5dCdelczQ
Name Methyl 5-oxo-1-thiacyclohexan-3-carboxylate
Alternate Name(s) Methyl 5-oxotetrahydro-2H-thiopyran-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O3S
InChI InChI=1S/C7H10O3S/c1-10-7(9)5-2-6(8)4-11-3-5/h5H,2-4H2,1H3
InChIKey STXHUPDJZBJSLQ-UHFFFAOYSA-N
Molecular Weight 174.214 g/mol
SMILES C1(C(=O)OC)CC(=O)CSC1
SPLASH splash10-0ai0-0900000000-90e0096d3b07b25f4e98
Source of Spectrum F-47-4858-27
Wiley ID 1170117