For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

3-Quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (tetrahydro-2-furanyl)methyl ester
SpectraBase Compound ID 6FGfvPu3cmo
InChI InChI=1S/C25H29NO6/c1-14-21(24(28)30-12-16-5-4-8-29-16)22(15-6-7-19-20(9-15)32-13-31-19)23-17(26-14)10-25(2,3)11-18(23)27/h6-7,9,16,22,26H,4-5,8,10-13H2,1-3H3
InChIKey JOZQMIYURFCWEQ-UHFFFAOYSA-N
Mol Weight 439.51 g/mol
Molecular Formula C25H29NO6
Exact Mass 439.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DYp0GpmXRCM
Name 3-Quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-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 439.199487652 u
Formula C25H29NO6
InChI InChI=1S/C25H29NO6/c1-14-21(24(28)30-12-16-5-4-8-29-16)22(15-6-7-19-20(9-15)32-13-31-19)23-17(26-14)10-25(2,3)11-18(23)27/h6-7,9,16,22,26H,4-5,8,10-13H2,1-3H3
InChIKey JOZQMIYURFCWEQ-UHFFFAOYSA-N
Molecular Weight 439.508 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=CC=2OCOC2C=C1)C(OCC1OCCC1)=O)C