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3-Quinolinecarboxylic acid, 4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (tetrahydro-2-furanyl)methyl ester

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3-Quinolinecarboxylic acid, 4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (tetrahydro-2-furanyl)methyl ester
SpectraBase Compound ID 6RmQMQBgA9B
InChI InChI=1S/C24H28FNO4/c1-14-20(23(28)30-13-17-5-4-10-29-17)21(15-6-8-16(25)9-7-15)22-18(26-14)11-24(2,3)12-19(22)27/h6-9,17,21,26H,4-5,10-13H2,1-3H3
InChIKey XKYPLGHGIXQHAK-UHFFFAOYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C24H28FNO4
Exact Mass 413.200237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbmndjFPY5U
Name 3-Quinolinecarboxylic acid, 4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (tetrahydro-2-furanyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.200236545 u
Formula C24H28FNO4
InChI InChI=1S/C24H28FNO4/c1-14-20(23(28)30-13-17-5-4-10-29-17)21(15-6-8-16(25)9-7-15)22-18(26-14)11-24(2,3)12-19(22)27/h6-9,17,21,26H,4-5,10-13H2,1-3H3
InChIKey XKYPLGHGIXQHAK-UHFFFAOYSA-N
Molecular Weight 413.489 g/mol
SMILES N1C2=C(C(C(=C1C)C(OCC1OCCC1)=O)C1=CC=C(C=C1)F)C(CC(C2)(C)C)=O