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METHYL-2-[8-(5-CARBOXY-QUINOLYL)-THIO]-ACETATE
SpectraBase Compound ID CoqfsAW91PV
InChI InChI=1S/C13H11NO4S/c1-18-11(15)7-19-10-5-4-9(13(16)17)8-3-2-6-14-12(8)10/h2-6H,7H2,1H3,(H,16,17)
InChIKey MBFVULQUXZGSIC-UHFFFAOYSA-N
Mol Weight 277.29 g/mol
Molecular Formula C13H11NO4S
Exact Mass 277.040879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39AQBbWpO0X
Name 8-(2-Methoxy-2-oxidanylidene-ethyl)sulfanylquinoline-5-carboxylic acid
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Formula C13H11NO4S
InChI InChI=1S/C13H11NO4S/c1-18-11(15)7-19-10-5-4-9(13(16)17)8-3-2-6-14-12(8)10/h2-6H,7H2,1H3,(H,16,17)
InChIKey MBFVULQUXZGSIC-UHFFFAOYSA-N
Molecular Weight 277.294 g/mol
SMILES OC(c1c2c(nccc2)c(cc1)SCC(=O)OC)=O
SPLASH splash10-014i-2190000000-b58ebec8b50b29b0e14d
Source of Spectrum Y-28-664-16
Synonyms 8-(2-Methoxy-2-oxo-ethyl)sulfanylquinoline-5-carboxylic acid 8-[(2-keto-2-methoxy-ethyl)thio]quinoline-5-carboxylic acid 8-[(2-methoxy-2-oxoethyl)thio]-5-quinolinecarboxylic acid
Wiley ID 1280852