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2-(2-hexahydro-1H-azepin-1-yl-2-oxoethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

View entire compound with spectra: 1 NMR

2-(2-hexahydro-1H-azepin-1-yl-2-oxoethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
SpectraBase Compound ID Ts5fTsR5q7
InChI InChI=1S/C15H18N2O4S/c18-14(16-9-5-1-2-6-10-16)11-17-15(19)12-7-3-4-8-13(12)22(17,20)21/h3-4,7-8H,1-2,5-6,9-11H2
InChIKey QDICFQUCVCQWCL-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C15H18N2O4S
Exact Mass 322.098728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SRq55iG6Ag
Name 2-(2-hexahydro-1H-azepin-1-yl-2-oxoethyl)-1,2-benzisothiazol-3(2H)-one 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/C15H18N2O4S/c18-14(16-9-5-1-2-6-10-16)11-17-15(19)12-7-3-4-8-13(12)22(17,20)21/h3-4,7-8H,1-2,5-6,9-11H2
InChIKey QDICFQUCVCQWCL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7167
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: D48021; Labnumber: SPDEM5-31153; SBI_ID: SBI-007170
Temperature 318 °C