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4-(2-fluoro-3-keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID KpC2T0hf29h
InChI InChI=1S/C12H16FNO4/c1-6-8(5-9(13)11(15)17-3)7(2)14-10(6)12(16)18-4/h9,14H,5H2,1-4H3
InChIKey KAPAYBHRKFKOPZ-UHFFFAOYSA-N
Mol Weight 257.26 g/mol
Molecular Formula C12H16FNO4
Exact Mass 257.106336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqnmWlnHRiX
Name 4-(2-fluoro-3-keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester
Alternate Name(s) 4-(2-fluoro-3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester Methyl 4-(2-fluoranyl-3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Methyl 4-(2-fluoro-3-methoxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
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Formula C12H16FNO4
InChI InChI=1S/C12H16FNO4/c1-6-8(5-9(13)11(15)17-3)7(2)14-10(6)12(16)18-4/h9,14H,5H2,1-4H3
InChIKey KAPAYBHRKFKOPZ-UHFFFAOYSA-N
Molecular Weight 257.261 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)C)CC(C(=O)OC)F)C
SPLASH splash10-00lr-0910000000-2d53e0acaf9497242a3d
Source of Spectrum J-62-403-6
Wiley ID 1260632