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N-(3-chloranylpyridin-4-yl)benzenecarbothioamide
SpectraBase Compound ID bwWORis6G0
InChI InChI=1S/C12H9ClN2S/c13-10-8-14-7-6-11(10)15-12(16)9-4-2-1-3-5-9/h1-8H,(H,14,15,16)
InChIKey SMNBKOOEJIVTSX-UHFFFAOYSA-N
Mol Weight 248.73 g/mol
Molecular Formula C12H9ClN2S
Exact Mass 248.017497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDrKgwcEKbz
Name N-(3-chloranylpyridin-4-yl)benzenecarbothioamide
CAS Registry Number 116608-23-2
Comments Less than 3 mono-isotopic peaks
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Formula C12H9ClN2S
InChI InChI=1S/C12H9ClN2S/c13-10-8-14-7-6-11(10)15-12(16)9-4-2-1-3-5-9/h1-8H,(H,14,15,16)
InChIKey SMNBKOOEJIVTSX-UHFFFAOYSA-N
Molecular Weight 248.731 g/mol
SMILES N(C(=S)c1ccccc1)c1c(Cl)cncc1
SPLASH splash10-03di-0090000000-129943978fca791d65fd
Source of Spectrum Y-24-1766-10
Synonyms N-(3-chloro-4-pyridinyl)benzenecarbothioamide N-(3-chloro-4-pyridyl)benzenecarbothioamide N-(3-chloro-4-pyridyl)thiobenzamide N-(3-chloropyridin-4-yl)benzenecarbothioamide
Wiley ID 1250719