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2-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
SpectraBase Compound ID 6RlP59Nt2js
InChI InChI=1S/C20H21N3O5S/c1-28-17-8-4-3-7-16(17)21-10-12-22(13-11-21)19(24)14-23-20(25)15-6-2-5-9-18(15)29(23,26)27/h2-9H,10-14H2,1H3
InChIKey HBACMMQZQUFEME-UHFFFAOYSA-N
Mol Weight 415.46 g/mol
Molecular Formula C20H21N3O5S
Exact Mass 415.120192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fxr1zCmKzNp
Name 2-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
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/C20H21N3O5S/c1-28-17-8-4-3-7-16(17)21-10-12-22(13-11-21)19(24)14-23-20(25)15-6-2-5-9-18(15)29(23,26)27/h2-9H,10-14H2,1H3
InChIKey HBACMMQZQUFEME-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7988
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: D47978; Labnumber: SPDEM4-5382; SBI_ID: SBI-007991
Temperature 308 °C