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Propionic acid, 3-(4-ethoxyphenyl)-3-[(thiophene-2-carbonyl)amino]-, ethyl ester
SpectraBase Compound ID Hw8yRuWmv7n
InChI InChI=1S/C18H21NO4S/c1-3-22-14-9-7-13(8-10-14)15(12-17(20)23-4-2)19-18(21)16-6-5-11-24-16/h5-11,15H,3-4,12H2,1-2H3,(H,19,21)
InChIKey IEBXKEDGWITIEM-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C18H21NO4S
Exact Mass 347.119129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BN0uYhaSny
Name Propionic acid, 3-(4-ethoxyphenyl)-3-[(thiophene-2-carbonyl)amino]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.119129330 u
Formula C18H21NO4S
InChI InChI=1S/C18H21NO4S/c1-3-22-14-9-7-13(8-10-14)15(12-17(20)23-4-2)19-18(21)16-6-5-11-24-16/h5-11,15H,3-4,12H2,1-2H3,(H,19,21)
InChIKey IEBXKEDGWITIEM-UHFFFAOYSA-N
Molecular Weight 347.429 g/mol
SMILES C1=CC(=CC=C1C(CC(OCC)=O)NC(=O)C1=CC=CS1)OCC