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Benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID BLEfWdCs1bB
InChI InChI=1S/C25H22F3NO3/c1-15-21(24(31)32-14-16-6-3-2-4-7-16)22(23-19(29-15)8-5-9-20(23)30)17-10-12-18(13-11-17)25(26,27)28/h2-4,6-7,10-13,22,29H,5,8-9,14H2,1H3
InChIKey AEKKKQZGFKZCDI-UHFFFAOYSA-N
Mol Weight 441.45 g/mol
Molecular Formula C25H22F3NO3
Exact Mass 441.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItwDu11GBp8
Name Benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CAS Registry Number 346716-12-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22F3NO3
InChI InChI=1S/C25H22F3NO3/c1-15-21(24(31)32-14-16-6-3-2-4-7-16)22(23-19(29-15)8-5-9-20(23)30)17-10-12-18(13-11-17)25(26,27)28/h2-4,6-7,10-13,22,29H,5,8-9,14H2,1H3
InChIKey AEKKKQZGFKZCDI-UHFFFAOYSA-N
Molecular Weight 441.450 g/mol
SMILES N1C2=C(C(C(=C1C)C(OCc1ccccc1)=O)c1ccc(C(F)(F)F)cc1)C(CCC2)=O
SPLASH splash10-0007-9672100000-bb7fb8199a037d4b2bdb
Synonyms (phenylmethyl) 2-methyl-5-oxidanylidene-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 2-Methyl-5-oxo-4-(4-trifluoromethyl-phenyl)-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid benzyl ester 2-Methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester 5-keto-2-methyl-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Wiley ID 1462323