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3-isothiazolidinone, 2-[4-[(4-acetyl-1-piperazinyl)sulfonyl]-3-methylphenyl]-4-methyl-, 1,1-dioxide
SpectraBase Compound ID 2FYnBI28z9a
InChI InChI=1S/C17H23N3O6S2/c1-12-10-15(20-17(22)13(2)11-27(20,23)24)4-5-16(12)28(25,26)19-8-6-18(7-9-19)14(3)21/h4-5,10,13H,6-9,11H2,1-3H3
InChIKey FRIAJFFICFYJBF-UHFFFAOYSA-N
Mol Weight 429.51 g/mol
Molecular Formula C17H23N3O6S2
Exact Mass 429.102828 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DUxYToMVL94
Name 3-isothiazolidinone, 2-[4-[(4-acetyl-1-piperazinyl)sulfonyl]-3-methylphenyl]-4-methyl-, 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/C17H23N3O6S2/c1-12-10-15(20-17(22)13(2)11-27(20,23)24)4-5-16(12)28(25,26)19-8-6-18(7-9-19)14(3)21/h4-5,10,13H,6-9,11H2,1-3H3
InChIKey FRIAJFFICFYJBF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9409
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: F35338; Labnumber: CHEKAN-00171