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5-[2-(2-bromophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID I7psFCZAJMz
InChI InChI=1S/C20H22BrNO6S/c1-5-26-19(24)15-11(3)16(20(25)27-6-2)29-18(15)22-17(23)12(4)28-14-10-8-7-9-13(14)21/h7-10,12H,5-6H2,1-4H3,(H,22,23)
InChIKey IIWFKPYRCRYMKT-UHFFFAOYSA-N
Mol Weight 484.36 g/mol
Molecular Formula C20H22BrNO6S
Exact Mass 483.035122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4gAd6S29uu
Name 5-[2-(2-bromophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester
Alternate Name(s) 5-[[2-(2-bromophenoxy)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester Diethyl 5-[2-(2-bromanylphenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Diethyl 5-[2-(2-bromophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate
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Formula C20H22BrNO6S
InChI InChI=1S/C20H22BrNO6S/c1-5-26-19(24)15-11(3)16(20(25)27-6-2)29-18(15)22-17(23)12(4)28-14-10-8-7-9-13(14)21/h7-10,12H,5-6H2,1-4H3,(H,22,23)
InChIKey IIWFKPYRCRYMKT-UHFFFAOYSA-N
Molecular Weight 484.361 g/mol
SMILES N(c1c(c(C)c(s1)C(=O)OCC)C(=O)OCC)C(C(Oc1c(Br)cccc1)C)=O
SPLASH splash10-000i-3690100000-38774fc798c433bd0eda
Wiley ID 1460716