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

*Links on SpectraBase are not permalinks.
acetamide, 2-[4-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonothioyl]-2-methoxyphenoxy]-
SpectraBase Compound ID 4zDRhm8a5HG
InChI InChI=1S/C21H22N4O3S2/c1-27-17-12-14(6-7-16(17)28-13-19(22)26)21(29)25-10-8-24(9-11-25)20-15-4-2-3-5-18(15)30-23-20/h2-7,12H,8-11,13H2,1H3,(H2,22,26)
InChIKey JKBQIPOURCXQBC-UHFFFAOYSA-N
Mol Weight 442.55 g/mol
Molecular Formula C21H22N4O3S2
Exact Mass 442.113333 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 D4RoAGfJCrM
Name acetamide, 2-[4-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]carbonothioyl]-2-methoxyphenoxy]-
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/C21H22N4O3S2/c1-27-17-12-14(6-7-16(17)28-13-19(22)26)21(29)25-10-8-24(9-11-25)20-15-4-2-3-5-18(15)30-23-20/h2-7,12H,8-11,13H2,1H3,(H2,22,26)
InChIKey JKBQIPOURCXQBC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8119
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: F31553; Labnumber: SPYEL-6850