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3-[13C]-4,5-Dichloro-2-methyl-isothiazol-3-one
SpectraBase Compound ID 2dw8NsECFcO
InChI InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3/i4+1
InChIKey CVZDIUZSWUDGOP-AZXPZELESA-N
Mol Weight 185.03 g/mol
Molecular Formula C313CH3Cl2NOS
Exact Mass 183.934595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QNvN5TMLr1
Name 3-[13C]-4,5-Dichloro-2-methyl-isothiazol-3-one
Comments Less than 3 mono-isotopic peaks; Original formula: C3[13C]H3Cl2NOS
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Formula C4H3Cl2NOS
InChI InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3/i4+1
InChIKey CVZDIUZSWUDGOP-AZXPZELESA-N
Molecular Weight 185.032 g/mol
SMILES C=1([13C](N(SC1Cl)C)=O)Cl
SPLASH splash10-001r-0900000000-2fcadc12ff291a4b7815
Source of Spectrum CRT-16-630-3a
Wiley ID 1715211