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N-(3-chloranylpyridin-4-yl)ethanethioamide
SpectraBase Compound ID 3OTY0mXPQAI
InChI InChI=1S/C7H7ClN2S/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,1H3,(H,9,10,11)
InChIKey SXJACTHFKKEPDZ-UHFFFAOYSA-N
Mol Weight 186.66 g/mol
Molecular Formula C7H7ClN2S
Exact Mass 186.001847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwzgA5mjbOs
Name N-(3-chloranylpyridin-4-yl)ethanethioamide
Alternate Name(s) N-(3-chloro-4-pyridinyl)ethanethioamide N-(3-chloro-4-pyridyl)thioacetamide N-(3-chloropyridin-4-yl)ethanethioamide
CAS Registry Number 116608-24-3
Comments Less than 3 mono-isotopic peaks
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Formula C7H7ClN2S
InChI InChI=1S/C7H7ClN2S/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,1H3,(H,9,10,11)
InChIKey SXJACTHFKKEPDZ-UHFFFAOYSA-N
Molecular Weight 186.660 g/mol
SMILES N(c1c(Cl)cncc1)C(=S)C
SPLASH splash10-0udi-0900000000-91a62d97ad61777a2261
Source of Spectrum Y-24-1766-10
Wiley ID 1182281