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Isopropyl 2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Isopropyl 2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 7xaSck7vHDX
InChI InChI=1S/C19H19Cl2NO3S/c1-10(2)25-19(24)16-12-5-3-4-6-15(12)26-18(16)22-17(23)11-7-8-13(20)14(21)9-11/h7-10H,3-6H2,1-2H3,(H,22,23)
InChIKey CDNYLVMNMIBVLV-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 66jDRih0eok
Name Isopropyl 2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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/c1-10(2)25-19(24)16-12-5-3-4-6-15(12)26-18(16)22-17(23)11-7-8-13(20)14(21)9-11/h7-10H,3-6H2,1-2H3,(H,22,23)
InChIKey CDNYLVMNMIBVLV-UHFFFAOYSA-N
Molecular Weight 412.331 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C2=C(CCCC2)S1)C(C1=CC(Cl)=C(C=C1)Cl)=O