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8-iodo-2-keto-4-methyl-1H-quinoline-6-carboxylic acid ethyl ester
SpectraBase Compound ID 5Km0WCNCned
InChI InChI=1S/C13H12INO3/c1-3-18-13(17)8-5-9-7(2)4-11(16)15-12(9)10(14)6-8/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey JBDWDDQALWKFKH-UHFFFAOYSA-N
Mol Weight 357.15 g/mol
Molecular Formula C13H12INO3
Exact Mass 356.986188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sTPsnpK9A
Name 8-iodo-2-keto-4-methyl-1H-quinoline-6-carboxylic acid ethyl ester
Alternate Name(s) 8-iodo-4-methyl-2-oxo-1H-quinoline-6-carboxylic acid ethyl ester Ethyl 8-iodanyl-4-methyl-2-oxidanylidene-1H-quinoline-6-carboxylate Ethyl 8-iodo-4-methyl-2-oxo-1H-quinoline-6-carboxylate
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Formula C13H12INO3
InChI InChI=1S/C13H12INO3/c1-3-18-13(17)8-5-9-7(2)4-11(16)15-12(9)10(14)6-8/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey JBDWDDQALWKFKH-UHFFFAOYSA-N
Molecular Weight 357.147 g/mol
SMILES N1c2c(cc(cc2C(=CC1=O)C)C(=O)OCC)I
SPLASH splash10-0bt9-0119000000-573e70cfe107385d71d4
Source of Spectrum CV-2003-241-7
Wiley ID 1610807