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

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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-, methyl ester
SpectraBase Compound ID 5gbpo5zeshn
InChI InChI=1S/C28H31NO5/c1-5-14-34-22-12-8-19(9-13-22)26-25(28(31)33-4)17(2)29-23-15-20(16-24(30)27(23)26)18-6-10-21(32-3)11-7-18/h6-13,20,26,29H,5,14-16H2,1-4H3
InChIKey CKBGUPVTOQBLEU-UHFFFAOYSA-N
Mol Weight 461.56 g/mol
Molecular Formula C28H31NO5
Exact Mass 461.220223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DfrhA3nM9oA
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.220223097 u
Formula C28H31NO5
InChI InChI=1S/C28H31NO5/c1-5-14-34-22-12-8-19(9-13-22)26-25(28(31)33-4)17(2)29-23-15-20(16-24(30)27(23)26)18-6-10-21(32-3)11-7-18/h6-13,20,26,29H,5,14-16H2,1-4H3
InChIKey CKBGUPVTOQBLEU-UHFFFAOYSA-N
Molecular Weight 461.558 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_358
Solvent DMSO-d6
Source Vendor ID: ZI/8107138; Lab Info: SAS; Lab Number: SAS-nw11581
Temperature 29.85 °C