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5-Chloro-2-methyl-3-isothiazolone
SpectraBase Compound ID Km9n19WwbKB
InChI InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
InChIKey DHNRXBZYEKSXIM-UHFFFAOYSA-N
Mol Weight 149.59 g/mol
Molecular Formula C4H4ClNOS
Exact Mass 148.970213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtIzpYXseOD
Name 5-Chloro-2-methyl-3-isothiazolone
CAS Registry Number 26172-55-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H4ClNOS
InChI InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
InChIKey DHNRXBZYEKSXIM-UHFFFAOYSA-N
Instrument Name Bruker WM-250
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3