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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UQJBB7ZDXz
Name 3-(1-Azepanyl)-1,2-benzisothiazole 1,1-dioxide
CAS Registry Number 309735-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2S
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
Molecular Weight 264.343 g/mol
SMILES C1CCN(C2=NS(c3c2cccc3)(=O)=O)CCC1
SPLASH splash10-0udl-9800000000-baf40ef362d4eb0ecea0
Source of Spectrum AD-0-2532-0
Synonyms 1,2-Benzisothiazole, 3-(hexahydro-1H-azepin-1-yl)-, 1,1-dioxide 3-(1-azepanyl)-1,2-benzothiazole 1,1-dioxide 3-(azepan-1-yl)-1,2-benzothiazole 1,1-dioxide
Wiley ID 1433275