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Isopropyl 4-(4-methylphenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Isopropyl 4-(4-methylphenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID LLTKdBIqT3e
InChI InChI=1S/C23H23NO4S/c1-15(2)28-23(26)21-19(17-11-9-16(3)10-12-17)14-29-22(21)24-20(25)13-27-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,24,25)
InChIKey BQQVHMBMWHALAS-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C23H23NO4S
Exact Mass 409.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qsBgCD3cah
Name Isopropyl 4-(4-methylphenyl)-2-[(phenoxyacetyl)amino]-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 409.134779395 u
Formula C23H23NO4S
InChI InChI=1S/C23H23NO4S/c1-15(2)28-23(26)21-19(17-11-9-16(3)10-12-17)14-29-22(21)24-20(25)13-27-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,24,25)
InChIKey BQQVHMBMWHALAS-UHFFFAOYSA-N
Molecular Weight 409.500 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C(=CS1)C=1C=CC(=CC1)C)C(=O)COC1=CC=CC=C1