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

SpectraBase Compound ID	4DdAjH5sq4I
InChI	InChI=1S/C23H27NO3S/c1-14-20(23(26)27-16-6-3-4-7-16)21(15-10-12-17(28-2)13-11-15)22-18(24-14)8-5-9-19(22)25/h10-13,16,21,24H,3-9H2,1-2H3
InChIKey	QYHKMOWXOGHZDZ-UHFFFAOYSA-N Google Search
Mol Weight	397.53 g/mol
Molecular Formula	C23H27NO3S
Exact Mass	397.171165 g/mol

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SpectraBase Spectrum ID	8oqcUEq5eV1
Name	3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-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/C23H27NO3S/c1-14-20(23(26)27-16-6-3-4-7-16)21(15-10-12-17(28-2)13-11-15)22-18(24-14)8-5-9-19(22)25/h10-13,16,21,24H,3-9H2,1-2H3
InChIKey	QYHKMOWXOGHZDZ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_7276
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/10328744