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5-[2-(2-Bromophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9B2py3Imt6J
Name 5-[2-(2-Bromophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.035121600 u
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 C1(=C(C(C)=C(S1)C(=O)OCC)C(=O)OCC)NC(C(OC1=C(Br)C=CC=C1)C)=O