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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-, cyclopentyl 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-, cyclopentyl ester
SpectraBase Compound ID FpYX9CTrutc
InChI InChI=1S/C28H31NO5/c1-15-9-10-22-18(11-15)26(31)19(14-33-22)24-23(27(32)34-17-7-5-6-8-17)16(2)29-20-12-28(3,4)13-21(30)25(20)24/h9-11,14,17,24,29H,5-8,12-13H2,1-4H3
InChIKey FUCISFGNDJIQEK-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 D47hwNByIYG
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-, cyclopentyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H31NO5/c1-15-9-10-22-18(11-15)26(31)19(14-33-22)24-23(27(32)34-17-7-5-6-8-17)16(2)29-20-12-28(3,4)13-21(30)25(20)24/h9-11,14,17,24,29H,5-8,12-13H2,1-4H3
InChIKey FUCISFGNDJIQEK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2551
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9254644; Labnumber: SAS-TST2178
Temperature 303 °C