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

View entire compound with spectra: 2 NMR

Methyl 2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CLav0FBjq9d
InChI InChI=1S/C23H29NO6S/c1-5-28-16-12-14(13-17(29-6-2)20(16)30-7-3)21(25)24-22-19(23(26)27-4)15-10-8-9-11-18(15)31-22/h12-13H,5-11H2,1-4H3,(H,24,25)
InChIKey SXFNPQVCLVXMLM-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C23H29NO6S
Exact Mass 447.171559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dnw8vl0an2t
Name Methyl 2-[(3,4,5-triethoxybenzoyl)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 447.171558826 u
Formula C23H29NO6S
InChI InChI=1S/C23H29NO6S/c1-5-28-16-12-14(13-17(29-6-2)20(16)30-7-3)21(25)24-22-19(23(26)27-4)15-10-8-9-11-18(15)31-22/h12-13H,5-11H2,1-4H3,(H,24,25)
InChIKey SXFNPQVCLVXMLM-UHFFFAOYSA-N
Molecular Weight 447.546 g/mol
SMILES N(C1=C(C2=C(CCCC2)S1)C(=O)OC)C(C=1C=C(C(=C(C1)OCC)OCC)OCC)=O