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4-[13C]-5-Chloro-2-methyl-isothiazol-3-one
SpectraBase Compound ID GThXPYNwfUC
InChI InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3/i2+1
InChIKey DHNRXBZYEKSXIM-VQEHIDDOSA-N
Mol Weight 150.59 g/mol
Molecular Formula C313CH4ClNOS
Exact Mass 149.973567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Enw4Rq7Ion6
Name 4-[13C]-5-Chloro-2-methyl-isothiazol-3-one
Comments Less than 3 mono-isotopic peaks; Original formula: C3[13C]H4ClNOS
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Formula C4H4ClNOS
InChI InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3/i2+1
InChIKey DHNRXBZYEKSXIM-VQEHIDDOSA-N
Molecular Weight 150.587 g/mol
SMILES [13CH]1=C(SN(C1=O)C)Cl
SPLASH splash10-0udi-0900000000-a52d7d89fdadd9b03565
Source of Spectrum CRT-16-630-1b
Wiley ID 1715210