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5-(1,4-dioxopentyl)-1H-pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID E2WrZzQ3EiI
InChI InChI=1S/C11H13NO4/c1-7(13)3-6-10(14)8-4-5-9(12-8)11(15)16-2/h4-5,12H,3,6H2,1-2H3
InChIKey WJDNDTYGUOZMQP-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46v8VHVFTuA
Name 5-(1,4-dioxopentyl)-1H-pyrrole-2-carboxylic acid methyl ester
Alternate Name(s) 5-(4-ketopentanoyl)-1H-pyrrole-2-carboxylic acid methyl ester Methyl 5-(4-oxidanylidenepentanoyl)-1H-pyrrole-2-carboxylate Methyl 5-(4-oxopentanoyl)-1H-pyrrole-2-carboxylate
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Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-7(13)3-6-10(14)8-4-5-9(12-8)11(15)16-2/h4-5,12H,3,6H2,1-2H3
InChIKey WJDNDTYGUOZMQP-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES [nH]1c(ccc1C(=O)OC)C(CCC(C)=O)=O
SPLASH splash10-00di-2910000000-6d5318f2d71ec4498cb6
Source of Spectrum E1-46-564-13
Wiley ID 1554278