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Ethyl 2-[(2-methoxybenzoyl)amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID pV80kSjSHA
InChI InChI=1S/C22H21NO5S/c1-4-28-22(25)19-17(14-9-11-15(26-2)12-10-14)13-29-21(19)23-20(24)16-7-5-6-8-18(16)27-3/h5-13H,4H2,1-3H3,(H,23,24)
InChIKey NBWGAMABKUIQCO-UHFFFAOYSA-N
Mol Weight 411.47 g/mol
Molecular Formula C22H21NO5S
Exact Mass 411.114044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZxJNcUeNAc
Name Ethyl 2-[(2-methoxybenzoyl)amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 411.114043949 u
Formula C22H21NO5S
InChI InChI=1S/C22H21NO5S/c1-4-28-22(25)19-17(14-9-11-15(26-2)12-10-14)13-29-21(19)23-20(24)16-7-5-6-8-18(16)27-3/h5-13H,4H2,1-3H3,(H,23,24)
InChIKey NBWGAMABKUIQCO-UHFFFAOYSA-N
Molecular Weight 411.472 g/mol
SMILES N(C1=C(C(C=2C=CC(=CC2)OC)=CS1)C(=O)OCC)C(C=1C(OC)=CC=CC1)=O