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3-(2',2'-Diacetyl-4'-methyl-3H,6H-thiin-5'-ylthio)pentane-2,4-dione
SpectraBase Compound ID 5If358K58Jl
InChI InChI=1S/C15H20O4S2/c1-8-6-15(11(4)18,12(5)19)20-7-13(8)21-14(9(2)16)10(3)17/h16H,6-7H2,1-5H3/b14-9+
InChIKey JKEHHDIUNNRDJI-NTEUORMPSA-N
Mol Weight 328.44 g/mol
Molecular Formula C15H20O4S2
Exact Mass 328.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApeAEeN9DV2
Name 3-(2',2'-Diacetyl-4'-methyl-3H,6H-thiin-5'-ylthio)pentane-2,4-dione
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Formula C15H20O4S2
InChI InChI=1S/C15H20O4S2/c1-8-6-15(11(4)18,12(5)19)20-7-13(8)21-14(9(2)16)10(3)17/h16H,6-7H2,1-5H3/b14-9+
InChIKey JKEHHDIUNNRDJI-NTEUORMPSA-N
Molecular Weight 328.441 g/mol
SMILES O\C(=C/(SC1=C(CC(SC1)(C(=O)C)C(=O)C)C)C(=O)C)C
SPLASH splash10-08g0-0920000000-bc6d7879d6749cb2e693
Source of Spectrum U1-1999-3378-14
Synonyms (E)-3-(6,6-Diacetyl-4-methyl-5,6-dihydro-2H-thiopyran-3-ylsulfanyl)-4-hydroxy-pent-3-en-2-one 3-[(6,6-diacetyl-4-methyl-5,6-dihydro-2H-thiopyran-3-yl)sulfanyl]-2,4-pentanedione (E)-3-[(6,6-diacetyl-4-methyl-2,5-dihydrothiopyran-3-yl)thio]-4-hydroxy-3-penten-2-one (E)-3-[(6,6-diacetyl-4-methyl-2,5-dihydrothiopyran-3-yl)sulfanyl]-4-hydroxypent-3-en-2-one (E)-3-[(6,6-diacetyl-4-methyl-2,5-dihydrothiopyran-3-yl)sulfanyl]-4-hydroxy-pent-3-en-2-one (E)-3-[(6,6-diethanoyl-4-methyl-2,5-dihydrothiopyran-3-yl)sulfanyl]-4-oxidanyl-pent-3-en-2-one
Wiley ID 753480