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4,7-Dimethoxy-3-propyl-1,2-benzisothiazole

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4,7-Dimethoxy-3-propyl-1,2-benzisothiazole
SpectraBase Compound ID 87XWo01JGJc
InChI InChI=1S/C12H15NO2S/c1-4-5-8-11-9(14-2)6-7-10(15-3)12(11)16-13-8/h6-7H,4-5H2,1-3H3
InChIKey NNKXVNIPOPIVQY-UHFFFAOYSA-N
Mol Weight 237.32 g/mol
Molecular Formula C12H15NO2S
Exact Mass 237.08235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J98hFFqS5z
Name 4,7-Dimethoxy-3-propyl-1,2-benzisothiazole
CAS Registry Number 110718-90-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c1-4-5-8-11-9(14-2)6-7-10(15-3)12(11)16-13-8/h6-7H,4-5H2,1-3H3
InChIKey NNKXVNIPOPIVQY-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