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4-Methylpyridine-2,3-dicarboxylic acid
SpectraBase Compound ID C2yUN8Sm8Rt
InChI InChI=1S/C8H7NO4/c1-4-2-3-9-6(8(12)13)5(4)7(10)11/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKey LKXREDOIMHQPQO-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 4HhP0bKUwC
Name 4-Methylpyridine-2,3-dicarboxylic acid
CAS Registry Number 517-40-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-4-2-3-9-6(8(12)13)5(4)7(10)11/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKey LKXREDOIMHQPQO-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES OC(c1c(C(=O)O)nccc1C)=O
SPLASH splash10-00kr-0900000000-ddbdcf88c114ba219840
Source of Spectrum SO-0-882-3
Synonyms 4-Methyl-2,3-pyridinedicarboxylic acid 4-Methylquinolinic acid
Wiley ID 1541044