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4-Isothiazoline-4-carbonitrile, 5-chloro-2-methyl-3-oxo-
SpectraBase Compound ID 3hUpgNvZrky
InChI InChI=1S/C5H3ClN2OS/c1-8-5(9)3(2-7)4(6)10-8/h1H3
InChIKey NYBVCFOXOAYRBC-UHFFFAOYSA-N
Mol Weight 174.6 g/mol
Molecular Formula C5H3ClN2OS
Exact Mass 173.965462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAK7nqXpjet
Name 4-Isothiazoline-4-carbonitrile, 5-chloro-2-methyl-3-oxo-
Alternate Name(s) 5-Chloranyl-2-methyl-3-oxidanylidene-1,2-thiazole-4-carbonitrile 5-Chloro-2-methyl-3-oxo-1,2-thiazole-4-carbonitrile 5-Chloro-2-methyl-3-oxo-2,3-dihydro-4-isothiazolecarbonitrile 5-Chloro-2-methyl-3-oxo-4-isothiazolecarbonitrile 5-Chloro-2-methyl-3-oxo-isothiazole-4-carbonitrile 5-Chloro-3-keto-2-methyl-4-isothiazoline-4-carbonitrile
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Formula C5H3ClN2OS
InChI InChI=1S/C5H3ClN2OS/c1-8-5(9)3(2-7)4(6)10-8/h1H3
InChIKey NYBVCFOXOAYRBC-UHFFFAOYSA-N
Molecular Weight 174.605 g/mol
SMILES C1(=C(SN(C1=O)C)Cl)C#N
SPLASH splash10-03la-9700000000-dcaf66da85d9cbeec3f7
Source of Spectrum AD-0-2532-0
Wiley ID 1421814