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4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester
SpectraBase Compound ID GPrZDFD2MK7
InChI InChI=1S/C22H26FNO3/c1-12(2)27-21(26)18-13(3)24-16-10-22(4,5)11-17(25)20(16)19(18)14-7-6-8-15(23)9-14/h6-9,12,19,24H,10-11H2,1-5H3
InChIKey OTKQFRJGQFSXJG-UHFFFAOYSA-N
Mol Weight 371.45 g/mol
Molecular Formula C22H26FNO3
Exact Mass 371.189672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30BXInvN4XK
Name 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester
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Formula C22H26FNO3
InChI InChI=1S/C22H26FNO3/c1-12(2)27-21(26)18-13(3)24-16-10-22(4,5)11-17(25)20(16)19(18)14-7-6-8-15(23)9-14/h6-9,12,19,24H,10-11H2,1-5H3
InChIKey OTKQFRJGQFSXJG-UHFFFAOYSA-N
Molecular Weight 371.452 g/mol
SMILES N1C(=C(C(C2=C1CC(CC2=O)(C)C)c1cc(ccc1)F)C(OC(C)C)=O)C
SPLASH splash10-003u-3692000000-80a0c50731e3d1c5b2c7
Synonyms 4-(3-fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester isopropyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Propan-2-yl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Propan-2-yl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Wiley ID 1456389