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1-(3-ketocyclohexen-1-yl)pyrrole-2-carboxylic acid
SpectraBase Compound ID Gi345SsMaw5
InChI InChI=1S/C11H11NO3/c13-9-4-1-3-8(7-9)12-6-2-5-10(12)11(14)15/h2,5-7H,1,3-4H2,(H,14,15)
InChIKey GMAVANFUMBPJLV-UHFFFAOYSA-N
Mol Weight 205.21 g/mol
Molecular Formula C11H11NO3
Exact Mass 205.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPMgu7dCw0e
Name 1-(3-ketocyclohexen-1-yl)pyrrole-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO3
InChI InChI=1S/C11H11NO3/c13-9-4-1-3-8(7-9)12-6-2-5-10(12)11(14)15/h2,5-7H,1,3-4H2,(H,14,15)
InChIKey GMAVANFUMBPJLV-UHFFFAOYSA-N
Molecular Weight 205.213 g/mol
SMILES OC(c1[n](C2=CC(=O)CCC2)ccc1)=O
SPLASH splash10-07bg-9520000000-6d1b73a4aee0079e528a
Source of Spectrum Y-28-1566-7
Synonyms 1-(3-oxidanylidenecyclohexen-1-yl)pyrrole-2-carboxylic acid 1-(3-oxo-1-cyclohexen-1-yl)-1H-pyrrole-2-carboxylic acid 1-(3-oxo-1-cyclohexenyl)-2-pyrrolecarboxylic acid 1-(3-oxocyclohexen-1-yl)pyrrole-2-carboxylic acid
Wiley ID 1203362