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3-(1-Azepanyl)-1,2-benzisothiazole 1,1-dioxide

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

3-(1-Azepanyl)-1,2-benzisothiazole 1,1-dioxide
SpectraBase Compound ID KXxp3iBQXbo
InChI InChI=1S/C13H16N2O2S/c16-18(17)12-8-4-3-7-11(12)13(14-18)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey XRMSASBXSGVRLP-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C13H16N2O2S
Exact Mass 264.093249 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BQL92snIhKY
Name 3-(1-azepanyl)-1,2-benzisothiazole 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/C13H16N2O2S/c16-18(17)12-8-4-3-7-11(12)13(14-18)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey XRMSASBXSGVRLP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1939
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/9273526; Labnumber: LP-0190702
Temperature 303 °C