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Ethyl 2-[(3,4-dimethoxybenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Ethyl 2-[(3,4-dimethoxybenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2hV1GGonfel
InChI InChI=1S/C22H27NO5S/c1-5-13-7-9-15-18(11-13)29-21(19(15)22(25)28-6-2)23-20(24)14-8-10-16(26-3)17(12-14)27-4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,23,24)
InChIKey HKJQCPSXJQMVQW-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IiN3KbGHMK
Name Ethyl 2-[(3,4-dimethoxybenzoyl)amino]-6-ethyl-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 417.160994142 u
Formula C22H27NO5S
InChI InChI=1S/C22H27NO5S/c1-5-13-7-9-15-18(11-13)29-21(19(15)22(25)28-6-2)23-20(24)14-8-10-16(26-3)17(12-14)27-4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,23,24)
InChIKey HKJQCPSXJQMVQW-UHFFFAOYSA-N
Molecular Weight 417.520 g/mol
SMILES N(C1=C(C=2CCC(CC2S1)CC)C(=O)OCC)C(C=1C=C(OC)C(=CC1)OC)=O