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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WKxB6SpVAS
Name 2,3-Dihydro-2-methyl-3-oxo-5-chloroisothiazole
CAS Registry Number 26172-55-4
Comments Less than 3 mono-isotopic peaks
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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
SMILES C=1C(N(C)SC1Cl)=O
SPLASH splash10-0002-0900000000-20b287f2a9d51d5428e4
Source of Spectrum CRT-16-630-1
Synonyms 3(2H)-Isothiazolone, 5-chloro-2-methyl- 4-Isothiazolin-3-one, 5-chloro-2-methyl- 5-chloranyl-2-methyl-1,2-thiazol-3-one 5-chloro-2-methyl-1,2-thiazol-3-one 5-Chloro-2-methyl-isothiazol-3-one 5-chloro-2-methyl-3-isothiazolone 5-Chloro-2-methyl-2H-isothiazol-3-one 5-Chloro-2-methyl-3(2H)-isothiazolone 5-Chloro-2-methyl-4-isothiazolin-3-one Methylchloroisothiazolinone BRN 1210149 EINECS 247-500-7 KATHON CG 5243
Wiley ID 1710010