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Methyl 2-methyl-5-oxo-1,3-dithiane-4-carboxylate
SpectraBase Compound ID 99B0dyQE4Hf
InChI InChI=1S/C7H10O3S2/c1-4-11-3-5(8)6(12-4)7(9)10-2/h4,6H,3H2,1-2H3
InChIKey QAORXAAHCNWEAV-UHFFFAOYSA-N
Mol Weight 206.27 g/mol
Molecular Formula C7H10O3S2
Exact Mass 206.007137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aXsbA8Fvs
Name Methyl 2-methyl-5-oxo-1,3-dithiane-4-carboxylate
CAS Registry Number 25785-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O3S2
InChI InChI=1S/C7H10O3S2/c1-4-11-3-5(8)6(12-4)7(9)10-2/h4,6H,3H2,1-2H3
InChIKey QAORXAAHCNWEAV-UHFFFAOYSA-N
Molecular Weight 206.274 g/mol
SMILES C1(SC(C)SCC1=O)C(=O)OC
SPLASH splash10-0bta-9310000000-3b986fc0aea06c51fb00
Source of Spectrum AD-0-2532-0
Synonyms 1,3-Dithiane-4-carboxylic acid, 2-methyl-5-oxo-, methyl ester 2-Methyl-5-oxo-1,3-dithiane-4-carboxylic acid methyl ester 5-keto-2-methyl-1,3-dithiane-4-carboxylic acid methyl ester Methyl 2-methyl-5-oxidanylidene-1,3-dithiane-4-carboxylate
Wiley ID 1425331