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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, methyl ester
SpectraBase Compound ID KEF2uqcHR6q
InChI InChI=1S/C21H22F3NO3/c1-11-16(19(27)28-4)17(12-5-7-13(8-6-12)21(22,23)24)18-14(25-11)9-20(2,3)10-15(18)26/h5-8,17,25H,9-10H2,1-4H3
InChIKey OQPZXJDTPYMOSO-UHFFFAOYSA-N
Mol Weight 393.41 g/mol
Molecular Formula C21H22F3NO3
Exact Mass 393.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAuMnchqNjr
Name 2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester
Alternate Name(s) 5-keto-2,7,7-trimethyl-4-[4-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Methyl 2,7,7-trimethyl-5-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate Methyl 2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
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Formula C21H22F3NO3
InChI InChI=1S/C21H22F3NO3/c1-11-16(19(27)28-4)17(12-5-7-13(8-6-12)21(22,23)24)18-14(25-11)9-20(2,3)10-15(18)26/h5-8,17,25H,9-10H2,1-4H3
InChIKey OQPZXJDTPYMOSO-UHFFFAOYSA-N
Molecular Weight 393.406 g/mol
SMILES N1C2=C(C(C(=C1C)C(=O)OC)c1ccc(C(F)(F)F)cc1)C(CC(C2)(C)C)=O
SPLASH splash10-0002-1392000000-43f18837d6f75f19c9f4
Wiley ID 1453778