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

View entire compound with spectra: 2 NMR

ethyl 2-[(2,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID BsESubmwTM8
InChI InChI=1S/C19H19Cl2NO3S/c1-2-25-19(24)16-13-6-4-3-5-7-15(13)26-18(16)22-17(23)12-9-8-11(20)10-14(12)21/h8-10H,2-7H2,1H3,(H,22,23)
InChIKey GAIXKXQJDBMEAC-UHFFFAOYSA-N
Mol Weight 412.33 g/mol
Molecular Formula C19H19Cl2NO3S
Exact Mass 411.04627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIa84aci833
Name Ethyl 2-[(2,4-dichlorobenzoyl)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 411.046270047 u
Formula C19H19Cl2NO3S
InChI InChI=1S/C19H19Cl2NO3S/c1-2-25-19(24)16-13-6-4-3-5-7-15(13)26-18(16)22-17(23)12-9-8-11(20)10-14(12)21/h8-10H,2-7H2,1H3,(H,22,23)
InChIKey GAIXKXQJDBMEAC-UHFFFAOYSA-N
Molecular Weight 412.331 g/mol
SMILES N(C1=C(C=2CCCCCC2S1)C(=O)OCC)C(C=1C(=CC(=CC1)Cl)Cl)=O