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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-5-oxo-, 2-methylpropyl ester
SpectraBase Compound ID DVRufhreT0I
InChI InChI=1S/C22H29NO3S/c1-12(2)11-26-21(25)18-14(4)23-15-9-22(5,6)10-16(24)19(15)20(18)17-8-7-13(3)27-17/h7-8,12,20,23H,9-11H2,1-6H3
InChIKey XVBWIKKCCJZGJB-UHFFFAOYSA-N
Mol Weight 387.54 g/mol
Molecular Formula C22H29NO3S
Exact Mass 387.186815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5P6PbEnkJMC
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-5-oxo-, 2-methylpropyl 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/C22H29NO3S/c1-12(2)11-26-21(25)18-14(4)23-15-9-22(5,6)10-16(24)19(15)20(18)17-8-7-13(3)27-17/h7-8,12,20,23H,9-11H2,1-6H3
InChIKey XVBWIKKCCJZGJB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7264
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/10328724