benzoic acid, 4-[[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]carbonothioyl]amino]-, ethyl ester

SpectraBase Compound ID	KCLXQYUOsgR
InChI	InChI=1S/C22H23F3N2O3S/c1-2-30-19(28)15-6-8-18(9-7-15)26-20(31)27-12-10-21(29,11-13-27)16-4-3-5-17(14-16)22(23,24)25/h3-9,14,29H,2,10-13H2,1H3,(H,26,31)
InChIKey	WNPQQVDAYFPMLV-UHFFFAOYSA-N Google Search
Mol Weight	452.49 g/mol
Molecular Formula	C22H23F3N2O3S
Exact Mass	452.138148 g/mol

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SpectraBase Spectrum ID	1YDRd7WedIH
Name	benzoic acid, 4-[[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]carbonothioyl]amino]-, 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/C22H23F3N2O3S/c1-2-30-19(28)15-6-8-18(9-7-15)26-20(31)27-12-10-21(29,11-13-27)16-4-3-5-17(14-16)22(23,24)25/h3-9,14,29H,2,10-13H2,1H3,(H,26,31)
InChIKey	WNPQQVDAYFPMLV-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_3117
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/11278725