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N-(2,4-Dimethoxybenzyl)-2-(4-methoxyphenyl)acetothioamide
SpectraBase Compound ID J6f9g5DiIrh
InChI InChI=1S/C18H21NO3S/c1-20-15-7-4-13(5-8-15)10-18(23)19-12-14-6-9-16(21-2)11-17(14)22-3/h4-9,11H,10,12H2,1-3H3,(H,19,23)
InChIKey SIQXXKDOMSGALT-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 8KFFGVqjvab
Name N-(2,4-Dimethoxybenzyl)-2-(4-methoxyphenyl)acetothioamide
Alternate Name(s) N-[(2,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)thioacetamide N-[(2,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanethioamide
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-20-15-7-4-13(5-8-15)10-18(23)19-12-14-6-9-16(21-2)11-17(14)22-3/h4-9,11H,10,12H2,1-3H3,(H,19,23)
InChIKey SIQXXKDOMSGALT-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES N(C(=S)Cc1ccc(cc1)OC)Cc1c(cc(cc1)OC)OC
SPLASH splash10-0udi-0903000000-0e98110295297dc181ec
Source of Spectrum EJ-42-39-26
Wiley ID 1676515