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2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid methyl ester
SpectraBase Compound ID EB1rQPAFz3y
InChI InChI=1S/C17H14F3NO4/c1-8-12(15(22)24-2)13(14-11(21-8)7-25-16(14)23)9-5-3-4-6-10(9)17(18,19)20/h3-6,13,21H,7H2,1-2H3
InChIKey YQNJWPJROXUEHC-UHFFFAOYSA-N
Mol Weight 353.3 g/mol
Molecular Formula C17H14F3NO4
Exact Mass 353.087492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZjgfZv8qvd
Name 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid methyl ester
Alternate Name(s) 5-keto-2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid methyl ester methyl 2-methyl-5-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate methyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H14F3NO4
InChI InChI=1S/C17H14F3NO4/c1-8-12(15(22)24-2)13(14-11(21-8)7-25-16(14)23)9-5-3-4-6-10(9)17(18,19)20/h3-6,13,21H,7H2,1-2H3
InChIKey YQNJWPJROXUEHC-UHFFFAOYSA-N
Molecular Weight 353.297 g/mol
SMILES N1C2=C(C(C(=C1C)C(=O)OC)c1c(C(F)(F)F)cccc1)C(OC2)=O
SPLASH splash10-0a4i-0090000000-211b2647a958fddb0944
Source of Spectrum D8-324-884-12
Wiley ID 1514211