3-Pyridinecarboxylic acid, 2,5,6-trichloro-4-[(1-piperidinylthioxomethyl)thio]-, ethyl ester

SpectraBase Compound ID	5CLN9D9Ja4V
InChI	InChI=1S/C14H15Cl3N2O2S2/c1-2-21-13(20)8-10(9(15)12(17)18-11(8)16)23-14(22)19-6-4-3-5-7-19/h2-7H2,1H3
InChIKey	RTCVTSCNVYULIK-UHFFFAOYSA-N Google Search
Mol Weight	413.77 g/mol
Molecular Formula	C14H15Cl3N2O2S2
Exact Mass	411.964053 g/mol

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SpectraBase Spectrum ID	Fb2xOTPzhI
Name	ethyl 2,5,6-trichloro-4-[(1-piperidinylcarbothioyl)sulfanyl]nicotinate
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/C14H15Cl3N2O2S2/c1-2-21-13(20)8-10(9(15)12(17)18-11(8)16)23-14(22)19-6-4-3-5-7-19/h2-7H2,1H3
InChIKey	RTCVTSCNVYULIK-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_4871
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/10301706; Labnumber: SIP-106; IOH_ID: IOH-004872