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ethyl 2-[(3-phenylpropanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

ethyl 2-[(3-phenylpropanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 1QllFCaD51b
InChI InChI=1S/C19H21NO3S/c1-2-23-19(22)17-14-9-6-10-15(14)24-18(17)20-16(21)12-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,20,21)
InChIKey BNMJBPVZAUCSLD-UHFFFAOYSA-N
Mol Weight 343.44 g/mol
Molecular Formula C19H21NO3S
Exact Mass 343.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZiWW25ylW5
Name Ethyl 2-[(3-phenylpropanoyl)amino]-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 343.124214711 u
Formula C19H21NO3S
InChI InChI=1S/C19H21NO3S/c1-2-23-19(22)17-14-9-6-10-15(14)24-18(17)20-16(21)12-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,20,21)
InChIKey BNMJBPVZAUCSLD-UHFFFAOYSA-N
Molecular Weight 343.441 g/mol
SMILES N(C1=C(C=2CCCC2S1)C(=O)OCC)C(=O)CCC=1C=CC=CC1