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N-(4-Methylthiophenyl)-3,5-difluorobenzothioamide
SpectraBase Compound ID BaEG23PTwKR
InChI InChI=1S/C14H11F2NS2/c1-19-13-4-2-12(3-5-13)17-14(18)9-6-10(15)8-11(16)7-9/h2-8H,1H3,(H,17,18)
InChIKey CEGFVRTVBGABBN-UHFFFAOYSA-N
Mol Weight 295.37 g/mol
Molecular Formula C14H11F2NS2
Exact Mass 295.030098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38u7GRCxHXx
Name N-(4-Methylthiophenyl)-3,5-difluorobenzothioamide
Alternate Name(s) 3,5-difluoro-N-[4-(methylthio)phenyl]benzenecarbothioamide 3,5-difluoro-N-(4-methylsulfanylphenyl)benzenecarbothioamide 3,5-bis(fluoranyl)-N-(4-methylsulfanylphenyl)benzenecarbothioamide
Comments Less than 3 mono-isotopic peaks
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Formula C14H11F2NS2
InChI InChI=1S/C14H11F2NS2/c1-19-13-4-2-12(3-5-13)17-14(18)9-6-10(15)8-11(16)7-9/h2-8H,1H3,(H,17,18)
InChIKey CEGFVRTVBGABBN-UHFFFAOYSA-N
Molecular Weight 295.366 g/mol
SMILES N(C(c1cc(F)cc(c1)F)=S)c1ccc(cc1)SC
SPLASH splash10-0a4i-0950000000-2fca2474790461104110
Source of Spectrum EJ-42-38-11
Wiley ID 1676529