For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzoic acid, 2-[[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID ECVP7Oj9gtP
InChI InChI=1S/C20H20N4O2S2/c1-26-19(25)14-6-2-4-8-16(14)21-20(27)24-12-10-23(11-13-24)18-15-7-3-5-9-17(15)28-22-18/h2-9H,10-13H2,1H3,(H,21,27)
InChIKey MWBRGQWGGUEYAV-UHFFFAOYSA-N
Mol Weight 412.53 g/mol
Molecular Formula C20H20N4O2S2
Exact Mass 412.102768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FfoqTqOBiKl
Name benzoic acid, 2-[[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonothioyl]amino]-, methyl 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/C20H20N4O2S2/c1-26-19(25)14-6-2-4-8-16(14)21-20(27)24-12-10-23(11-13-24)18-15-7-3-5-9-17(15)28-22-18/h2-9H,10-13H2,1H3,(H,21,27)
InChIKey MWBRGQWGGUEYAV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9651
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: F36076; Labnumber: NNA-V-24212