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4,5-Dichloro-2-methyl-3(2H)-isothiazolone
SpectraBase Compound ID 3zzEmTs9m1H
InChI InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3
InChIKey CVZDIUZSWUDGOP-UHFFFAOYSA-N
Mol Weight 184.04 g/mol
Molecular Formula C4H3Cl2NOS
Exact Mass 182.93124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wvN8ODBLXT
Name 4,5-Dichloro-2-methyl-3(2H)-isothiazolone
CAS Registry Number 26542-23-4
Comments Less than 3 mono-isotopic peaks
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Formula C4H3Cl2NOS
InChI InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3
InChIKey CVZDIUZSWUDGOP-UHFFFAOYSA-N
Molecular Weight 184.040 g/mol
SMILES C1(=C(SN(C1=O)C)Cl)Cl
SPLASH splash10-001r-0900000000-a153c9a4cc738e14a687
Source of Spectrum CRT-16-630-3
Synonyms 4,5-Dichloro-2-methyl-isothiazol-3-one 3(2H)-isothiazolone, 4,5-dichloro-2-methyl- 4,5-bis(chloranyl)-2-methyl-1,2-thiazol-3-one 4,5-dichloro-2-methyl-3-isothiazolone 4,5-dichloro-2-methyl-1,2-thiazol-3-one 4,5-Dichloro-2-methyl-4-isothiazolin-3-one Methyldichloroisothiazolinone 45243-K-DG
Wiley ID 1710009