1-piperidinecarbothioic acid, 4-methyl-, O-[4-[[(3-nitrophenyl)amino]carbonyl]phenyl] ester

SpectraBase Compound ID	IaGTwSejun2
InChI	InChI=1S/C20H21N3O4S/c1-14-9-11-22(12-10-14)20(28)27-18-7-5-15(6-8-18)19(24)21-16-3-2-4-17(13-16)23(25)26/h2-8,13-14H,9-12H2,1H3,(H,21,24)
InChIKey	UJQQUPDBKKKQAQ-UHFFFAOYSA-N Google Search
Mol Weight	399.47 g/mol
Molecular Formula	C20H21N3O4S
Exact Mass	399.125277 g/mol

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SpectraBase Spectrum ID	KSfn1K1qDjX
Name	1-piperidinecarbothioic acid, 4-methyl-, O-[4-[[(3-nitrophenyl)amino]carbonyl]phenyl] 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/C20H21N3O4S/c1-14-9-11-22(12-10-14)20(28)27-18-7-5-15(6-8-18)19(24)21-16-3-2-4-17(13-16)23(25)26/h2-8,13-14H,9-12H2,1H3,(H,21,24)
InChIKey	UJQQUPDBKKKQAQ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_5593
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: ZI/6061357; Labnumber: LD-51; IOH_ID: IOH-012596