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1,2-benzisothiazol-3(2H)-one, 2-methyl-4,6-dinitro-, 1-oxide
SpectraBase Compound ID XnSyzTemdV
InChI InChI=1S/C8H5N3O6S/c1-9-8(12)7-5(11(15)16)2-4(10(13)14)3-6(7)18(9)17/h2-3H,1H3
InChIKey QQTWFVJZLUIUSF-UHFFFAOYSA-N
Mol Weight 271.2 g/mol
Molecular Formula C8H5N3O6S
Exact Mass 270.989906 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1oFz0MK1dya
Name 1,2-benzisothiazol-3(2H)-one, 2-methyl-4,6-dinitro-, 1-oxide
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/C8H5N3O6S/c1-9-8(12)7-5(11(15)16)2-4(10(13)14)3-6(7)18(9)17/h2-3H,1H3
InChIKey QQTWFVJZLUIUSF-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_CB_8313_2593
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: NMR/9311813; Labnumber: Serebryakov,L-17