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

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3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-, (tetrahydro-2-furanyl)methyl ester
SpectraBase Compound ID 5gZOIoLBcE6
InChI InChI=1S/C25H31NO4/c1-15-7-9-17(10-8-15)22-21(24(28)30-14-18-6-5-11-29-18)16(2)26-19-12-25(3,4)13-20(27)23(19)22/h7-10,18,22,26H,5-6,11-14H2,1-4H3
InChIKey BNGIKVUABZUKQY-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C25H31NO4
Exact Mass 409.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLsixA0hA39
Name 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(4-methylphenyl)-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 409.225308478 u
Formula C25H31NO4
InChI InChI=1S/C25H31NO4/c1-15-7-9-17(10-8-15)22-21(24(28)30-14-18-6-5-11-29-18)16(2)26-19-12-25(3,4)13-20(27)23(19)22/h7-10,18,22,26H,5-6,11-14H2,1-4H3
InChIKey BNGIKVUABZUKQY-UHFFFAOYSA-N
Molecular Weight 409.526 g/mol
SMILES N1C2=C(C(C(=C1C)C(OCC1OCCC1)=O)C1=CC=C(C=C1)C)C(CC(C2)(C)C)=O