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5-Methylpyridine-2,3-dicarboxylic acid
SpectraBase Compound ID J2fcfyvoRZF
InChI InChI=1S/C8H7NO4/c1-4-2-5(7(10)11)6(8(12)13)9-3-4/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKey JPIJMXOJEHMTPU-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJhnRqKNaM8
Name 5-Methylpyridine-2,3-dicarboxylic acid
Alternate Name(s) 5-methyl-2,3-pyridinedicarboxylic acid 5-methylquinolinic acid
Comments Less than 3 mono-isotopic peaks
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Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-4-2-5(7(10)11)6(8(12)13)9-3-4/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKey JPIJMXOJEHMTPU-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES OC(c1c(C(=O)O)ncc(c1)C)=O
SPLASH splash10-00kr-0900000000-4fded49c7b72528305ce
Source of Spectrum SO-0-882-3
Wiley ID 1541045