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4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]benzamide
SpectraBase Compound ID 4loU1NdHcgx
InChI InChI=1S/C27H31N3O4S/c1-6-34-26-15-12-23(13-16-26)21(4)28-29-27(31)24-10-8-22(9-11-24)18-30(35(5,32)33)25-14-7-19(2)20(3)17-25/h7-17H,6,18H2,1-5H3,(H,29,31)/b28-21+
InChIKey BXTYGDHYAUERDF-SGWCAAJKSA-N
Mol Weight 493.62 g/mol
Molecular Formula C27H31N3O4S
Exact Mass 493.203528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKjNihZgF8T
Name 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]benzamide
Alternate Name(s) 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-[(E)-1-p-phenetylethylideneamino]benzamide 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]benzamide
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Formula C27H31N3O4S
InChI InChI=1S/C27H31N3O4S/c1-6-34-26-15-12-23(13-16-26)21(4)28-29-27(31)24-10-8-22(9-11-24)18-30(35(5,32)33)25-14-7-19(2)20(3)17-25/h7-17H,6,18H2,1-5H3,(H,29,31)/b28-21+
InChIKey BXTYGDHYAUERDF-SGWCAAJKSA-N
Molecular Weight 493.622 g/mol
SMILES N(\N=C\(c1ccc(cc1)OCC)C)C(c1ccc(CN(S(=O)(=O)C)c2cc(C)c(cc2)C)cc1)=O
SPLASH splash10-066v-8941100000-b2eb479969da4bf3b864
Wiley ID 1460254