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methyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

methyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 76aeop39MFy
InChI InChI=1S/C20H23NO4S/c1-3-25-15-11-8-7-9-13(15)18(22)21-19-17(20(23)24-2)14-10-5-4-6-12-16(14)26-19/h7-9,11H,3-6,10,12H2,1-2H3,(H,21,22)
InChIKey IBIDZTUXBZZUCN-UHFFFAOYSA-N
Mol Weight 373.47 g/mol
Molecular Formula C20H23NO4S
Exact Mass 373.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvYcL9BNnqR
Name Methyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.134779395 u
Formula C20H23NO4S
InChI InChI=1S/C20H23NO4S/c1-3-25-15-11-8-7-9-13(15)18(22)21-19-17(20(23)24-2)14-10-5-4-6-12-16(14)26-19/h7-9,11H,3-6,10,12H2,1-2H3,(H,21,22)
InChIKey IBIDZTUXBZZUCN-UHFFFAOYSA-N
Molecular Weight 373.467 g/mol
SMILES N(C1=C(C=2CCCCCC2S1)C(=O)OC)C(C=1C(OCC)=CC=CC1)=O