acetic acid, [2-methoxy-4-[[4-(phenylmethyl)-1-piperazinyl]carbonothioyl]phenoxy]-

SpectraBase Compound ID	I21jbkIdQyD
InChI	InChI=1S/C21H24N2O4S/c1-26-19-13-17(7-8-18(19)27-15-20(24)25)21(28)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,24,25)
InChIKey	JJXXJCMVHFBOLY-UHFFFAOYSA-N Google Search
Mol Weight	400.49 g/mol
Molecular Formula	C21H24N2O4S
Exact Mass	400.145678 g/mol

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SpectraBase Spectrum ID	DTBRqVg3EBJ
Name	acetic acid, [2-methoxy-4-[[4-(phenylmethyl)-1-piperazinyl]carbonothioyl]phenoxy]-
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/C21H24N2O4S/c1-26-19-13-17(7-8-18(19)27-15-20(24)25)21(28)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,24,25)
InChIKey	JJXXJCMVHFBOLY-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_11605
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: F31624; Labnumber: SPYEL-7669