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2-Pyrroline-3-carboxylic acid, 1-(4-fluorophenyl)-2-methyl-5-oxo-, methyl ester
SpectraBase Compound ID A9SIMm7Nye8
InChI InChI=1S/C13H12FNO3/c1-8-11(13(17)18-2)7-12(16)15(8)10-5-3-9(14)4-6-10/h3-6H,7H2,1-2H3
InChIKey SMCOTCXZDZNNSH-UHFFFAOYSA-N
Mol Weight 249.24 g/mol
Molecular Formula C13H12FNO3
Exact Mass 249.080121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EpDyhH3nzE
Name 2-Pyrroline-3-carboxylic acid, 1-(4-fluorophenyl)-2-methyl-5-oxo-, methyl ester
Alternate Name(s) 1-(4-fluorophenyl)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester 1-(4-fluorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid methyl ester Methyl 1-(4-fluorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate Methyl 1-(4-fluorophenyl)-5-methyl-2-oxidanylidene-3H-pyrrole-4-carboxylate Methyl 1-(4-fluorophenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
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Formula C13H12FNO3
InChI InChI=1S/C13H12FNO3/c1-8-11(13(17)18-2)7-12(16)15(8)10-5-3-9(14)4-6-10/h3-6H,7H2,1-2H3
InChIKey SMCOTCXZDZNNSH-UHFFFAOYSA-N
Molecular Weight 249.241 g/mol
SMILES C1(=C(N(c2ccc(cc2)F)C(C1)=O)C)C(=O)OC
SPLASH splash10-01p2-6930000000-af885d9997ea41da025f
Wiley ID 1455742