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3-quinolinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID VSKoFMOxtP
InChI InChI=1S/C25H32ClNO5S/c1-6-31-19-11-15(10-16(26)23(19)29)21-20(24(30)32-8-9-33-7-2)14(3)27-17-12-25(4,5)13-18(28)22(17)21/h10-11,21,27,29H,6-9,12-13H2,1-5H3
InChIKey BBJBEHMLRJWLDJ-UHFFFAOYSA-N
Mol Weight 494.0 g/mol
Molecular Formula C25H32ClNO5S
Exact Mass 493.168972 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DViDkbZ78x7
Name 3-quinolinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl 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/C25H32ClNO5S/c1-6-31-19-11-15(10-16(26)23(19)29)21-20(24(30)32-8-9-33-7-2)14(3)27-17-12-25(4,5)13-18(28)22(17)21/h10-11,21,27,29H,6-9,12-13H2,1-5H3
InChIKey BBJBEHMLRJWLDJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_489
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/11258271