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4-(4-keto-4-methoxy-butanoyl)-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 9wSQBFMPRuW
InChI InChI=1S/C12H15NO5/c1-3-18-12(16)9-6-8(7-13-9)10(14)4-5-11(15)17-2/h6-7,13H,3-5H2,1-2H3
InChIKey JYEKORPQNZBWJI-UHFFFAOYSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvbHuE7wbgd
Name 4-(4-keto-4-methoxy-butanoyl)-1H-pyrrole-2-carboxylic acid ethyl ester
Alternate Name(s) 4-(4-methoxy-1,4-dioxobutyl)-1H-pyrrole-2-carboxylic acid ethyl ester ethyl 4-(4-methoxy-4-oxidanylidene-butanoyl)-1H-pyrrole-2-carboxylate ethyl 4-(4-methoxy-4-oxo-butanoyl)-1H-pyrrole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-3-18-12(16)9-6-8(7-13-9)10(14)4-5-11(15)17-2/h6-7,13H,3-5H2,1-2H3
InChIKey JYEKORPQNZBWJI-UHFFFAOYSA-N
Molecular Weight 253.254 g/mol
SMILES [nH]1cc(cc1C(=O)OCC)C(=O)CCC(=O)OC
SPLASH splash10-014i-0930000000-d28a5389617f1a038132
Source of Spectrum E1-44-58-2
Wiley ID 1553236