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4-(2-fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester
SpectraBase Compound ID 7WpcYm5FFyt
InChI InChI=1S/C27H28FNO3/c1-17-23(26(31)32-14-13-18-9-5-4-6-10-18)24(19-11-7-8-12-20(19)28)25-21(29-17)15-27(2,3)16-22(25)30/h4-12,24,29H,13-16H2,1-3H3
InChIKey NOPGTQHGCKXWIJ-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 BMDm7wBKGYS
Name 4-(2-fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester
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Formula C27H28FNO3
InChI InChI=1S/C27H28FNO3/c1-17-23(26(31)32-14-13-18-9-5-4-6-10-18)24(19-11-7-8-12-20(19)28)25-21(29-17)15-27(2,3)16-22(25)30/h4-12,24,29H,13-16H2,1-3H3
InChIKey NOPGTQHGCKXWIJ-UHFFFAOYSA-N
Molecular Weight 433.523 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1c(F)cccc1)C(=O)OCCc1ccccc1)C
SPLASH splash10-000i-1359100000-7b75067548a3d6d2f01b
Synonyms phenethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenylethyl ester 2-Phenylethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Wiley ID 1454811