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N-[2-(tert-butylsulfanyl)ethyl]-6-nitro-1,2-benzisothiazol-3-amine 1,1-dioxide
SpectraBase Compound ID GFosK6xXAbQ
InChI InChI=1S/C13H17N3O4S2/c1-13(2,3)21-7-6-14-12-10-5-4-9(16(17)18)8-11(10)22(19,20)15-12/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKey SITRWGOJABTOCX-UHFFFAOYSA-N
Mol Weight 343.42 g/mol
Molecular Formula C13H17N3O4S2
Exact Mass 343.066048 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HbaSStkmmFE
Name N-[2-(tert-butylsulfanyl)ethyl]-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/C13H17N3O4S2/c1-13(2,3)21-7-6-14-12-10-5-4-9(16(17)18)8-11(10)22(19,20)15-12/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKey SITRWGOJABTOCX-UHFFFAOYSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2943
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/6011795; Labnumber: LP-19/98; IOH_ID: IOH-002944
Synonyms N-[2-(tert-butylsulfanyl)ethyl]-N-(6-nitro-1,1-dioxido-1,2-benzisothiazol-3-yl)amine
Temperature 313 °C