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5-(4-keto-4-methoxy-butanoyl)-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 5iJd8utiJiY
InChI InChI=1S/C12H15NO5/c1-3-18-12(16)9-5-4-8(13-9)10(14)6-7-11(15)17-2/h4-5,13H,3,6-7H2,1-2H3
InChIKey NRBRYHASCHFNFC-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 IVYZxe3pZ2l
Name 5-(4-keto-4-methoxy-butanoyl)-1H-pyrrole-2-carboxylic acid ethyl ester
Alternate Name(s) 5-(4-methoxy-1,4-dioxobutyl)-1H-pyrrole-2-carboxylic acid ethyl ester ethyl 5-(4-methoxy-4-oxidanylidene-butanoyl)-1H-pyrrole-2-carboxylate ethyl 5-(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)9-5-4-8(13-9)10(14)6-7-11(15)17-2/h4-5,13H,3,6-7H2,1-2H3
InChIKey NRBRYHASCHFNFC-UHFFFAOYSA-N
Molecular Weight 253.254 g/mol
SMILES [nH]1c(ccc1C(=O)OCC)C(=O)CCC(=O)OC
SPLASH splash10-0fk9-0950000000-5c84fd1e29c1f17ab099
Source of Spectrum E1-44-58-2
Wiley ID 1553235