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3-{[(p-Methylphenyl)sulfonyl]oxymethylene}-2,3-dihydrothiopyrano[2,3-b]pyridin-4(4H)-one
SpectraBase Compound ID EBupHvNLec8
InChI InChI=1S/C16H13NO4S2/c1-11-4-6-13(7-5-11)23(19,20)21-9-12-10-22-16-14(15(12)18)3-2-8-17-16/h2-9H,10H2,1H3/b12-9+
InChIKey LOVJPALLMURJRY-FMIVXFBMSA-N
Mol Weight 347.4 g/mol
Molecular Formula C16H13NO4S2
Exact Mass 347.0286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27D3wOakv1t
Name 3-{[(p-Methylphenyl)sulfonyl]oxymethylene}-2,3-dihydrothiopyrano[2,3-b]pyridin-4(4H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H13NO4S2
InChI InChI=1S/C16H13NO4S2/c1-11-4-6-13(7-5-11)23(19,20)21-9-12-10-22-16-14(15(12)18)3-2-8-17-16/h2-9H,10H2,1H3/b12-9+
InChIKey LOVJPALLMURJRY-FMIVXFBMSA-N
Molecular Weight 347.403 g/mol
SMILES C1(\C(=C\OS(c2ccc(cc2)C)(=O)=O)CSc2ncccc12)=O
SPLASH splash10-0002-0900000000-90c271362099886aaa77
Source of Spectrum AJ-42-1361-8
Synonyms (Z)-(4-oxo-2H-thiino[2,3-b]pyridin-3(4H)-ylidene)methyl 4-methylbenzenesulfonate 4-methylbenzenesulfonic acid[(Z)-(4-ketothiopyrano[2,3-b]pyridin-3-ylidene)methyl]ester 4-methylbenzenesulfonic acid[(Z)-(4-oxo-3-thiopyrano[2,3-b]pyridinylidene)methyl]ester [(Z)-(4-oxidanylidenethiopyrano[2,3-b]pyridin-3-ylidene)methyl]4-methylbenzenesulfonate [(Z)-(4-oxothiopyrano[2,3-b]pyridin-3-ylidene)methyl]4-methylbenzenesulfonate 4-methylbenzenesulfonic acid [(Z)-(4-oxo-3-thiopyrano[2,3-b]pyridinylidene)methyl] ester [(Z)-(4-oxothiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate [(Z)-(4-oxidanylidenethiopyrano[2,3-b]pyridin-3-ylidene)methyl] 4-methylbenzenesulfonate
Wiley ID 1568234