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2-Phenylethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID DCWzEPRHbrh
InChI InChI=1S/C27H28FNO3/c1-17-23(26(31)32-13-12-18-8-5-4-6-9-18)24(19-10-7-11-20(28)14-19)25-21(29-17)15-27(2,3)16-22(25)30/h4-11,14,24,29H,12-13,15-16H2,1-3H3
InChIKey WQWIPDQACZGAQA-UHFFFAOYSA-N
Mol Weight 433.52 g/mol
Molecular Formula C27H28FNO3
Exact Mass 433.205322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89nzPbN9Gst
Name 2-Phenylethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Alternate Name(s) 4-(3-fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester phenethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenylethyl ester 2-Phenylethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
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Formula C27H28FNO3
InChI InChI=1S/C27H28FNO3/c1-17-23(26(31)32-13-12-18-8-5-4-6-9-18)24(19-10-7-11-20(28)14-19)25-21(29-17)15-27(2,3)16-22(25)30/h4-11,14,24,29H,12-13,15-16H2,1-3H3
InChIKey WQWIPDQACZGAQA-UHFFFAOYSA-N
Molecular Weight 433.523 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1cc(F)ccc1)C(=O)OCCc1ccccc1)C
SPLASH splash10-0k96-9831000000-83d3da709fe258addfea
Wiley ID 1462321