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1H-Indole-2-carboxylic acid, 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID BIWGpeWuYt
InChI InChI=1S/C17H16FNO3/c1-9-15-13(19-16(9)17(21)22-2)7-11(8-14(15)20)10-3-5-12(18)6-4-10/h3-6,11,19H,7-8H2,1-2H3
InChIKey XCCSQCIEYFQDJG-UHFFFAOYSA-N
Mol Weight 301.32 g/mol
Molecular Formula C17H16FNO3
Exact Mass 301.111422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kPCzWKGF5q
Name 1H-Indole-2-carboxylic acid, 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-, methyl ester
Alternate Name(s) 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester 6-(4-fluorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester Methyl 6-(4-fluorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Methyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Methyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
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Formula C17H16FNO3
InChI InChI=1S/C17H16FNO3/c1-9-15-13(19-16(9)17(21)22-2)7-11(8-14(15)20)10-3-5-12(18)6-4-10/h3-6,11,19H,7-8H2,1-2H3
InChIKey XCCSQCIEYFQDJG-UHFFFAOYSA-N
Molecular Weight 301.317 g/mol
SMILES [nH]1c2c(c(c1C(OC)=O)C)C(CC(C2)c1ccc(cc1)F)=O
SPLASH splash10-0fb9-4901000000-2e7c3e729a1f619cc507
Source of Spectrum AD-0-2532-0
Wiley ID 1436016