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3-Quinolinecarboxylic acid, 4-(2,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester

View entire compound with spectra: 2 NMR

3-Quinolinecarboxylic acid, 4-(2,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID EE6TWFWv4fR
InChI InChI=1S/C23H29NO5S/c1-5-30-12-11-29-23(26)20-14(2)24-17-7-6-8-18(25)22(17)21(20)16-10-9-15(27-3)13-19(16)28-4/h9-10,13,21,24H,5-8,11-12H2,1-4H3
InChIKey MTJWJGLITXZAIB-UHFFFAOYSA-N
Mol Weight 431.55 g/mol
Molecular Formula C23H29NO5S
Exact Mass 431.176644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPeVYTLN5YV
Name 3-Quinolinecarboxylic acid, 4-(2,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.176644207 u
Formula C23H29NO5S
InChI InChI=1S/C23H29NO5S/c1-5-30-12-11-29-23(26)20-14(2)24-17-7-6-8-18(25)22(17)21(20)16-10-9-15(27-3)13-19(16)28-4/h9-10,13,21,24H,5-8,11-12H2,1-4H3
InChIKey MTJWJGLITXZAIB-UHFFFAOYSA-N
Molecular Weight 431.547 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C1=C(C=C(C=C1)OC)OC)C(=O)OCCSCC)C