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3-METHYL-BENZO-[D]-ISOTHIAZOLE

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3-METHYL-BENZO-[D]-ISOTHIAZOLE
SpectraBase Compound ID A686w7abnbb
InChI InChI=1S/C8H7NS/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3
InChIKey DAEGDNYLKMKZRG-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TMZTdkBdOy
Name 3-Methyl-1,2-benzisothiazole
CAS Registry Number 6187-89-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3
InChIKey DAEGDNYLKMKZRG-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