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4-Methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
SpectraBase Compound ID DiHZOViEz0R
InChI InChI=1S/C13H11NO4/c1-7-3-4-9(13(17)18)6-10(7)14-11(15)5-8(2)12(14)16/h3-6H,1-2H3,(H,17,18)
InChIKey YXHMXXBDBSEGIW-UHFFFAOYSA-N
Mol Weight 245.23 g/mol
Molecular Formula C13H11NO4
Exact Mass 245.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmnVieWcMIh
Name 4-Methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO4
InChI InChI=1S/C13H11NO4/c1-7-3-4-9(13(17)18)6-10(7)14-11(15)5-8(2)12(14)16/h3-6H,1-2H3,(H,17,18)
InChIKey YXHMXXBDBSEGIW-UHFFFAOYSA-N
Molecular Weight 245.234 g/mol
SMILES OC(c1cc(N2C(C=C(C2=O)C)=O)c(cc1)C)=O
SPLASH splash10-0002-6890000000-01ebb4b92699852fa047
Synonyms 3-citraconimido-4-methyl-benzoic acid 4-Methyl-3-(3-methyl-2,5-dioxo-1-pyrrolyl)benzoic acid 4-Methyl-3-(3-methyl-2,5-dioxo-pyrrol-1-yl)benzoic acid 4-Methyl-3-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoic acid Benzoic acid, 4-methyl-3-(3-methyl-2,5-dioxo-2,5-dihydropyrrol-1-yl)-
Wiley ID 1440906