butanoic acid, 4-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydro-2-quinolinyl]thio]-3-oxo-, ethyl ester

SpectraBase Compound ID	YvZpvESdwT
InChI	InChI=1S/C22H21ClN2O3S/c1-2-28-20(27)11-16(26)13-29-22-18(12-24)21(14-7-9-15(23)10-8-14)17-5-3-4-6-19(17)25-22/h7-10H,2-6,11,13H2,1H3
InChIKey	RROFBHZVXOWLOE-UHFFFAOYSA-N Google Search
Mol Weight	428.93 g/mol
Molecular Formula	C22H21ClN2O3S
Exact Mass	428.096141 g/mol

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SpectraBase Spectrum ID	F3X6XE6VsKE
Name	butanoic acid, 4-[[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydro-2-quinolinyl]thio]-3-oxo-, 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/C22H21ClN2O3S/c1-2-28-20(27)11-16(26)13-29-22-18(12-24)21(14-7-9-15(23)10-8-14)17-5-3-4-6-19(17)25-22/h7-10H,2-6,11,13H2,1H3
InChIKey	RROFBHZVXOWLOE-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_2849
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/10218518