For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-keto-4,6-dinitro-1,2-benzothiazol-3-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-keto-4,6-dinitro-1,2-benzothiazol-3-one
SpectraBase Compound ID KbE9qX6J7Ny
InChI InChI=1S/C7H3N3O6S/c11-7-6-4(10(14)15)1-3(9(12)13)2-5(6)17(16)8-7/h1-2H,(H,8,11)
InChIKey HEMARIRAUVSIOZ-UHFFFAOYSA-N
Mol Weight 257.18 g/mol
Molecular Formula C7H3N3O6S
Exact Mass 256.974256 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JYHbMIdZYN1
Name 4,6-dinitro-1,2-benzisothiazol-3(2H)-one 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/C7H3N3O6S/c11-7-6-4(10(14)15)1-3(9(12)13)2-5(6)17(16)8-7/h1-2H,(H,8,11)
InChIKey HEMARIRAUVSIOZ-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_2223
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/8211599; IOH_ID: IOH-002224
Temperature 303 °C