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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID K7M7uTVTuTt
Name 5-Chloro-2-methyl-3-isothiazolone
Source of Sample Cayman Chemical Company
Catalog Number 10597
Lot Number 0475024-1
CAS Registry Number 26172-55-4
Classification isothiazolinone-derived biocide used for controlling microbial growth in water-containing solutions
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4ClNOS
InChI InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
InChIKey DHNRXBZYEKSXIM-UHFFFAOYSA-N
Molecular Weight 149.595 g/mol
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sample Description oil
Source of Spectrum Forensic Spectral Research
Synonyms 5-Chloro-2-methyl-3(2H)-isothiazolone; Chloromethylisothiazolinone; Methylchloroisothiazolinone; CMI; CMIT; MCI; MCIT
Technique FT-Raman