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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-, (tetrahydro-2-furanyl)methyl ester

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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-, (tetrahydro-2-furanyl)methyl ester
SpectraBase Compound ID BjNvAy3xkq3
InChI InChI=1S/C25H31NO4S/c1-15-21(24(28)30-14-17-6-5-11-29-17)22(16-7-9-18(31-4)10-8-16)23-19(26-15)12-25(2,3)13-20(23)27/h7-10,17,22,26H,5-6,11-14H2,1-4H3
InChIKey QCWNEXDDHRHROP-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C25H31NO4S
Exact Mass 441.19738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J8huEVexoem
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-, (tetrahydro-2-furanyl)methyl 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/C25H31NO4S/c1-15-21(24(28)30-14-17-6-5-11-29-17)22(16-7-9-18(31-4)10-8-16)23-19(26-15)12-25(2,3)13-20(23)27/h7-10,17,22,26H,5-6,11-14H2,1-4H3
InChIKey QCWNEXDDHRHROP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_384
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/11258118