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propyl 2-[(3,5-dimethylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 2U47XTWjdUg
InChI InChI=1S/C20H23NO3S/c1-4-8-24-20(23)17-15-6-5-7-16(15)25-19(17)21-18(22)14-10-12(2)9-13(3)11-14/h9-11H,4-8H2,1-3H3,(H,21,22)
InChIKey BEOIHYZFLZADAH-UHFFFAOYSA-N
Mol Weight 357.47 g/mol
Molecular Formula C20H23NO3S
Exact Mass 357.139865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1P7bhX2xgS
Name Propyl 2-[(3,5-dimethylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 357.139864776 u
Formula C20H23NO3S
InChI InChI=1S/C20H23NO3S/c1-4-8-24-20(23)17-15-6-5-7-16(15)25-19(17)21-18(22)14-10-12(2)9-13(3)11-14/h9-11H,4-8H2,1-3H3,(H,21,22)
InChIKey BEOIHYZFLZADAH-UHFFFAOYSA-N
Molecular Weight 357.468 g/mol
SMILES N(C1=C(C2=C(CCC2)S1)C(=O)OCCC)C(C=1C=C(C)C=C(C1)C)=O