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3,7-Dimethyl-1,2-benzisothiazole

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3,7-Dimethyl-1,2-benzisothiazole
SpectraBase Compound ID dK5qgRQJ52
InChI InChI=1S/C9H9NS/c1-6-4-3-5-8-7(2)10-11-9(6)8/h3-5H,1-2H3
InChIKey NJIQVLHCUCMCGB-UHFFFAOYSA-N
Mol Weight 163.24 g/mol
Molecular Formula C9H9NS
Exact Mass 163.04557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEQxnI5g2Tv
Name 3,7-Dimethyl-1,2-benzisothiazole
CAS Registry Number 110718-88-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9NS
InChI InChI=1S/C9H9NS/c1-6-4-3-5-8-7(2)10-11-9(6)8/h3-5H,1-2H3
InChIKey NJIQVLHCUCMCGB-UHFFFAOYSA-N
Instrument Name Varian XL-400
Literature Reference S. Buchwald, B.T. Watson, R.T.Lum, J. Am. Chem. Soc. 109, 7137 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3