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4-chloro-3-({[2-(3-pyridinyl)-1-piperidinyl]carbothioyl}amino)benzoic acid
SpectraBase Compound ID 3toLXeM8FlN
InChI InChI=1S/C18H18ClN3O2S/c19-14-7-6-12(17(23)24)10-15(14)21-18(25)22-9-2-1-5-16(22)13-4-3-8-20-11-13/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,21,25)(H,23,24)
InChIKey FYWRJAZXZYXMJV-UHFFFAOYSA-N
Mol Weight 375.87 g/mol
Molecular Formula C18H18ClN3O2S
Exact Mass 375.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7JIoKhBNAXB
Name 4-chloro-3-({[2-(3-pyridinyl)-1-piperidinyl]carbothioyl}amino)benzoic acid
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/C18H18ClN3O2S/c19-14-7-6-12(17(23)24)10-15(14)21-18(25)22-9-2-1-5-16(22)13-4-3-8-20-11-13/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,21,25)(H,23,24)
InChIKey FYWRJAZXZYXMJV-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2171
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/9251532; Labnumber: L-19,Lebedev