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

View entire compound with spectra: 2 NMR

3-Quinolinecarboxylic acid, 4-(2,3-dichlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, (tetrahydro-2-furanyl)methyl ester
SpectraBase Compound ID 7KFE5rwZXEn
InChI InChI=1S/C22H23Cl2NO4/c1-12-18(22(27)29-11-13-5-4-10-28-13)19(14-6-2-7-15(23)21(14)24)20-16(25-12)8-3-9-17(20)26/h2,6-7,13,19,25H,3-5,8-11H2,1H3
InChIKey MUPICDCWFBMSGF-UHFFFAOYSA-N
Mol Weight 436.34 g/mol
Molecular Formula C22H23Cl2NO4
Exact Mass 435.100414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ivt385k3s08
Name 3-Quinolinecarboxylic acid, 4-(2,3-dichlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-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 435.100413621 u
Formula C22H23Cl2NO4
InChI InChI=1S/C22H23Cl2NO4/c1-12-18(22(27)29-11-13-5-4-10-28-13)19(14-6-2-7-15(23)21(14)24)20-16(25-12)8-3-9-17(20)26/h2,6-7,13,19,25H,3-5,8-11H2,1H3
InChIKey MUPICDCWFBMSGF-UHFFFAOYSA-N
Molecular Weight 436.335 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C1=C(C(Cl)=CC=C1)Cl)C(OCC1OCCC1)=O)C