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2-(Diphenylacetamido)-4-methyl-3,5-bis(ethoxycarbonyl)-thiophene

View entire compound with spectra: 1 NMR

2-(Diphenylacetamido)-4-methyl-3,5-bis(ethoxycarbonyl)-thiophene
SpectraBase Compound ID KzLDC1eNShM
InChI InChI=1S/C25H25NO5S/c1-4-30-24(28)19-16(3)21(25(29)31-5-2)32-23(19)26-22(27)20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,20H,4-5H2,1-3H3,(H,26,27)
InChIKey IADFLVJUOQDJNX-UHFFFAOYSA-N
Mol Weight 451.54 g/mol
Molecular Formula C25H25NO5S
Exact Mass 451.145344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vZmTFFlXn6
Name 2-(Diphenylacetamido)-4-methyl-3,5-bis(ethoxycarbonyl)-thiophene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.145344078 u
Formula C25H25NO5S
InChI InChI=1S/C25H25NO5S/c1-4-30-24(28)19-16(3)21(25(29)31-5-2)32-23(19)26-22(27)20(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,20H,4-5H2,1-3H3,(H,26,27)
InChIKey IADFLVJUOQDJNX-UHFFFAOYSA-N
Molecular Weight 451.537 g/mol
SMILES C=1(SC(NC(C(C2=CC=CC=C2)C2=CC=CC=C2)=O)=C(C1C)C(OCC)=O)C(OCC)=O