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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, cyclohexyl ester

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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, cyclohexyl ester
SpectraBase Compound ID LigoPVO642K
InChI InChI=1S/C29H33NO5/c1-16-10-11-23-19(12-16)27(32)20(15-34-23)25-24(28(33)35-18-8-6-5-7-9-18)17(2)30-21-13-29(3,4)14-22(31)26(21)25/h10-12,15,18,25,30H,5-9,13-14H2,1-4H3
InChIKey NKSCXPSHPDHKLF-UHFFFAOYSA-N
Mol Weight 475.6 g/mol
Molecular Formula C29H33NO5
Exact Mass 475.235873 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20kAIfZmHvH
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, cyclohexyl 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 475.235873162 u
Formula C29H33NO5
InChI InChI=1S/C29H33NO5/c1-16-10-11-23-19(12-16)27(32)20(15-34-23)25-24(28(33)35-18-8-6-5-7-9-18)17(2)30-21-13-29(3,4)14-22(31)26(21)25/h10-12,15,18,25,30H,5-9,13-14H2,1-4H3
InChIKey NKSCXPSHPDHKLF-UHFFFAOYSA-N
Molecular Weight 475.585 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6801
Solvent DMSO-d6
Source Vendor ID: NMR/10220463; Lab Info: SAS; Lab Number: SAS-tst3462
Temperature 29.85 °C