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3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-, (4-methoxyphenyl)methyl ester

View entire compound with spectra: 2 NMR

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-, (4-methoxyphenyl)methyl ester
SpectraBase Compound ID 9hefSCv7HFO
InChI InChI=1S/C28H31NO7/c1-16-24(28(31)36-15-17-9-11-19(32-2)12-10-17)25(26-20(29-16)7-6-8-21(26)30)18-13-22(33-3)27(35-5)23(14-18)34-4/h9-14,25,29H,6-8,15H2,1-5H3
InChIKey IIQXMUPDYNIFLN-UHFFFAOYSA-N
Mol Weight 493.56 g/mol
Molecular Formula C28H31NO7
Exact Mass 493.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 875Advb1a2p
Name 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-, (4-methoxyphenyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.210052335 u
Formula C28H31NO7
InChI InChI=1S/C28H31NO7/c1-16-24(28(31)36-15-17-9-11-19(32-2)12-10-17)25(26-20(29-16)7-6-8-21(26)30)18-13-22(33-3)27(35-5)23(14-18)34-4/h9-14,25,29H,6-8,15H2,1-5H3
InChIKey IIQXMUPDYNIFLN-UHFFFAOYSA-N
Molecular Weight 493.556 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C1=CC(OC)=C(C(=C1)OC)OC)C(OCC=1C=CC(=CC1)OC)=O)C