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5-Acetyl-2-[[2-(3,4-diethoxyphenyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID 5FBirrPEP7w
InChI InChI=1S/C22H27NO6S/c1-6-27-16-10-9-15(11-17(16)28-7-2)12-18(25)23-21-19(22(26)29-8-3)13(4)20(30-21)14(5)24/h9-11H,6-8,12H2,1-5H3,(H,23,25)
InChIKey SSGOMYVJSUZBDQ-UHFFFAOYSA-N
Mol Weight 433.52 g/mol
Molecular Formula C22H27NO6S
Exact Mass 433.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqeHQnxDvlX
Name 5-Acetyl-2-[[2-(3,4-diethoxyphenyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
Alternate Name(s) Ethyl 2-[2-(3,4-diethoxyphenyl)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Ethyl 5-acetyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methyl-thiophene-3-carboxylate Ethyl 5-acetyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
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Formula C22H27NO6S
InChI InChI=1S/C22H27NO6S/c1-6-27-16-10-9-15(11-17(16)28-7-2)12-18(25)23-21-19(22(26)29-8-3)13(4)20(30-21)14(5)24/h9-11H,6-8,12H2,1-5H3,(H,23,25)
InChIKey SSGOMYVJSUZBDQ-UHFFFAOYSA-N
Molecular Weight 433.519 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)C)C(=O)OCC)C(=O)Cc1cc(OCC)c(cc1)OCC
SPLASH splash10-0ab9-4940000000-8385ca20bc87fcc4ea66
Source of Spectrum AD-0-2532-0
Wiley ID 1436192