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N-(2,6-Dimethylphenyl)-3,4,5-trimethoxybenzothioamide
SpectraBase Compound ID H7ifKAVNSLY
InChI InChI=1S/C18H21NO3S/c1-11-7-6-8-12(2)16(11)19-18(23)13-9-14(20-3)17(22-5)15(10-13)21-4/h6-10H,1-5H3,(H,19,23)
InChIKey DWIOGGHPWJFPIO-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wY0CAjYBTk
Name N-(2,6-Dimethylphenyl)-3,4,5-trimethoxybenzothioamide
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-11-7-6-8-12(2)16(11)19-18(23)13-9-14(20-3)17(22-5)15(10-13)21-4/h6-10H,1-5H3,(H,19,23)
InChIKey DWIOGGHPWJFPIO-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES N(C(c1cc(OC)c(c(c1)OC)OC)=S)c1c(cccc1C)C
SPLASH splash10-014i-0009000000-faa40b20ee6c1e342766
Source of Spectrum EJ-42-38-21
Synonyms N-(2,6-dimethylphenyl)-3,4,5-trimethoxybenzenecarbothioamide N-(2,6-dimethylphenyl)-3,4,5-trimethoxy-benzenecarbothioamide
Wiley ID 1676519