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2-(3,4-diethoxyphenyl)-N-(2-thienylmethyl)acetamide
SpectraBase Compound ID G7K7pMfCyzU
InChI InChI=1S/C17H21NO3S/c1-3-20-15-8-7-13(10-16(15)21-4-2)11-17(19)18-12-14-6-5-9-22-14/h5-10H,3-4,11-12H2,1-2H3,(H,18,19)
InChIKey PGPAVZXUEFILMX-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gXmvtbKIPT
Name 2-(3,4-Diethoxyphenyl)-N-(2-thienylmethyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 319.124214711 u
Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-3-20-15-8-7-13(10-16(15)21-4-2)11-17(19)18-12-14-6-5-9-22-14/h5-10H,3-4,11-12H2,1-2H3,(H,18,19)
InChIKey PGPAVZXUEFILMX-UHFFFAOYSA-N
Molecular Weight 319.419 g/mol
SMILES N(C(=O)CC1=CC(OCC)=C(C=C1)OCC)CC=1SC=CC1