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2-(3-Methyl-2,5-dioxo-1-pyrrolyl)benzoic acid
SpectraBase Compound ID HYS5fKMs3L9
InChI InChI=1S/C12H9NO4/c1-7-6-10(14)13(11(7)15)9-5-3-2-4-8(9)12(16)17/h2-6H,1H3,(H,16,17)
InChIKey FGRSEKUPERCZCN-UHFFFAOYSA-N
Mol Weight 231.21 g/mol
Molecular Formula C12H9NO4
Exact Mass 231.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiF0k5fbRUd
Name 2-(3-Methyl-2,5-dioxo-1-pyrrolyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO4
InChI InChI=1S/C12H9NO4/c1-7-6-10(14)13(11(7)15)9-5-3-2-4-8(9)12(16)17/h2-6H,1H3,(H,16,17)
InChIKey FGRSEKUPERCZCN-UHFFFAOYSA-N
Molecular Weight 231.207 g/mol
SMILES OC(c1c(cccc1)N1C(C(=CC1=O)C)=O)=O
SPLASH splash10-001i-0290000000-eb4c2b77dc12aee6cda8
Source of Spectrum C5-2003-658-9
Synonyms 2-(3-Methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid 2-(3-Methyl-2,5-dioxo-pyrrol-1-yl)benzoic acid 2-citraconimidobenzoic acid 2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoic acid
Wiley ID 1615500