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2-Methoxy-3-[(2',4'-dioxopentyl)thio]-2,3,4,5-tetrahydropyran
SpectraBase Compound ID IqMAoX2frHV
InChI InChI=1S/C11H18O4S/c1-7(12)10(8(2)13)16-9-5-4-6-15-11(9)14-3/h9,11-12H,4-6H2,1-3H3/b10-7+/t9-,11-/m1/s1
InChIKey KDNODQNLGUWDER-DHJNVWGISA-N
Mol Weight 246.32 g/mol
Molecular Formula C11H18O4S
Exact Mass 246.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwjmAaZX8mj
Name 2-Methoxy-3-[(2',4'-dioxopentyl)thio]-2,3,4,5-tetrahydropyran
Alternate Name(s) (E)-4-Hydroxy-3-((2R,3R)-2-methoxy-tetrahydro-pyran-3-ylsulfanyl)-pent-3-en-2-one 1-[(2-methoxytetrahydro-2H-pyran-3-yl)sulfanyl]-2,4-pentanedione (E)-4-hydroxy-3-[[(2R,3R)-2-methoxy-3-oxanyl]thio]-3-penten-2-one (E)-4-hydroxy-3-[(2R,3R)-2-methoxyoxan-3-yl]sulfanylpent-3-en-2-one (E)-4-hydroxy-3-[(2R,3R)-2-methoxytetrahydropyran-3-yl]sulfanyl-pent-3-en-2-one (E)-3-[(2R,3R)-2-methoxyoxan-3-yl]sulfanyl-4-oxidanyl-pent-3-en-2-one
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Formula C11H18O4S
InChI InChI=1S/C11H18O4S/c1-7(12)10(8(2)13)16-9-5-4-6-15-11(9)14-3/h9,11-12H,4-6H2,1-3H3/b10-7+/t9-,11-/m1/s1
InChIKey KDNODQNLGUWDER-DHJNVWGISA-N
Molecular Weight 246.321 g/mol
SMILES O\C(=C/(S[C@]1([C@@](OCCC1)(OC)[H])[H])C(=O)C)C
SPLASH splash10-01po-9130000000-d6034593ae567aa446b0
Source of Spectrum J-60-6426-64
Wiley ID 1248547