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3-Mercapto-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-4-carboxylicacid
SpectraBase Compound ID DTqMs28hBHj
InChI InChI=1S/C8H10O4S/c1-8(2)3-12-7(11)5(13)4(8)6(9)10/h13H,3H2,1-2H3,(H,9,10)
InChIKey GBVXPANTSTWLEI-UHFFFAOYSA-N
Mol Weight 202.22 g/mol
Molecular Formula C8H10O4S
Exact Mass 202.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmjkMg31s4T
Name 3-Mercapto-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-4-carboxylicacid
Alternate Name(s) 5-Mercapto-3,3-dimethyl-6-oxo-3,6-dihydro-2H-pyran-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O4S
InChI InChI=1S/C8H10O4S/c1-8(2)3-12-7(11)5(13)4(8)6(9)10/h13H,3H2,1-2H3,(H,9,10)
InChIKey GBVXPANTSTWLEI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19823150603
Molecular Weight 202.224 g/mol
SMILES OC(C=1C(COC(C1S)=O)(C)C)=O
SPLASH splash10-0wmi-0940000000-a1b4edc111129f77c9e5
Source of Spectrum APC-315-497-9f
Wiley ID 1788022