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N-(2-methylphenyl)-6-nitro-1,2-benzisothiazol-3-amine 1,1-dioxide

View entire compound with spectra: 1 NMR

N-(2-methylphenyl)-6-nitro-1,2-benzisothiazol-3-amine 1,1-dioxide
SpectraBase Compound ID 4yNhmgnKeYt
InChI InChI=1S/C14H11N3O4S/c1-9-4-2-3-5-12(9)15-14-11-7-6-10(17(18)19)8-13(11)22(20,21)16-14/h2-8H,1H3,(H,15,16)
InChIKey YWJMERHDHWHXPI-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C14H11N3O4S
Exact Mass 317.047027 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B8inxZ8P8Bc
Name N-(2-methylphenyl)-6-nitro-1,2-benzisothiazol-3-amine 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/C14H11N3O4S/c1-9-4-2-3-5-12(9)15-14-11-7-6-10(17(18)19)8-13(11)22(20,21)16-14/h2-8H,1H3,(H,15,16)
InChIKey YWJMERHDHWHXPI-UHFFFAOYSA-N
NMR Offset 16.5733
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2395
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: ZI/5127037; Labnumber: LP-PC014; IOH_ID: IOH-002396
Synonyms N-(2-methylphenyl)-N-(6-nitro-1,1-dioxido-1,2-benzisothiazol-3-yl)amine
Temperature 313 °C