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N-(3,4,5-Trimethoxyphenyl)-3,5-difluorobenzothioamide
SpectraBase Compound ID edJxYVuopF
InChI InChI=1S/C16H15F2NO3S/c1-20-13-7-12(8-14(21-2)15(13)22-3)19-16(23)9-4-10(17)6-11(18)5-9/h4-8H,1-3H3,(H,19,23)
InChIKey ZMDHOFZGARFHCK-UHFFFAOYSA-N
Mol Weight 339.36 g/mol
Molecular Formula C16H15F2NO3S
Exact Mass 339.074071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyzvirSVjVx
Name N-(3,4,5-Trimethoxyphenyl)-3,5-difluorobenzothioamide
Alternate Name(s) 3,5-difluoro-N-(3,4,5-trimethoxyphenyl)benzenecarbothioamide 3,5-bis(fluoranyl)-N-(3,4,5-trimethoxyphenyl)benzenecarbothioamide
Comments Less than 3 mono-isotopic peaks
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Formula C16H15F2NO3S
InChI InChI=1S/C16H15F2NO3S/c1-20-13-7-12(8-14(21-2)15(13)22-3)19-16(23)9-4-10(17)6-11(18)5-9/h4-8H,1-3H3,(H,19,23)
InChIKey ZMDHOFZGARFHCK-UHFFFAOYSA-N
Molecular Weight 339.357 g/mol
SMILES N(c1cc(OC)c(c(c1)OC)OC)C(c1cc(F)cc(c1)F)=S
SPLASH splash10-0a4i-0905000000-c89d86fd9794c71fe686
Source of Spectrum EJ-42-38-13
Wiley ID 1676527