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1-(3-ketocyclohexen-1-yl)pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID ESULkMYlZcv
InChI InChI=1S/C12H13NO3/c1-16-12(15)11-6-3-7-13(11)9-4-2-5-10(14)8-9/h3,6-8H,2,4-5H2,1H3
InChIKey FLTWNZABOPMOKB-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwM07Eo4fVD
Name 1-(3-ketocyclohexen-1-yl)pyrrole-2-carboxylic acid methyl ester
Alternate Name(s) 1-(3-oxo-1-cyclohexenyl)-2-pyrrolecarboxylic acid methyl ester Methyl 1-(3-oxidanylidenecyclohexen-1-yl)pyrrole-2-carboxylate Methyl 1-(3-oxocyclohexen-1-yl)pyrrole-2-carboxylate
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Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-16-12(15)11-6-3-7-13(11)9-4-2-5-10(14)8-9/h3,6-8H,2,4-5H2,1H3
InChIKey FLTWNZABOPMOKB-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES c1([n](ccc1)C1=CC(=O)CCC1)C(=O)OC
SPLASH splash10-00or-5910000000-eb9b02f8c06367d24a33
Source of Spectrum Y-28-1566-10
Wiley ID 1218844