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1-Benzamido-5,6,7,8-tetrahydro-4H-cyclohepta[c]isothiazol-1-ium chloride
SpectraBase Compound ID 9zpSsqJHufN
InChI InChI=1S/C15H16N2OS.ClH/c18-15(12-7-3-1-4-8-12)16-17-14-10-6-2-5-9-13(14)11-19-17;/h1,3-4,7-8,11H,2,5-6,9-10H2;1H
InChIKey ZFFNFQQMEGZBEK-UHFFFAOYSA-N
Mol Weight 308.83 g/mol
Molecular Formula C15H17ClN2OS
Exact Mass 308.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCGFYdrJOI9
Name 1-Benzamido-5,6,7,8-tetrahydro-4H-cyclohepta[c]isothiazol-1-ium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17ClN2OS
InChI InChI=1S/C15H16N2OS.ClH/c18-15(12-7-3-1-4-8-12)16-17-14-10-6-2-5-9-13(14)11-19-17;/h1,3-4,7-8,11H,2,5-6,9-10H2;1H
InChIKey ZFFNFQQMEGZBEK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19943360204
Molecular Weight 308.827 g/mol
SMILES N([n+]1c2c(cs1)CCCCC2)C(c1ccccc1)=O.[Cl-]
SPLASH splash10-0a4i-3930000000-54aae9e4c6fe92efda6d
Source of Spectrum JF-336-120-10a
Wiley ID 1789864