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

View entire compound with spectra: 2 NMR

methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID DRykTxAXz23
InChI InChI=1S/C21H25NO6S/c1-25-14-10-12(11-15(26-2)18(14)27-3)19(23)22-20-17(21(24)28-4)13-8-6-5-7-9-16(13)29-20/h10-11H,5-9H2,1-4H3,(H,22,23)
InChIKey HAPVNTWRLYJGMC-UHFFFAOYSA-N
Mol Weight 419.49 g/mol
Molecular Formula C21H25NO6S
Exact Mass 419.140259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID N61kBSnaAL
Name Methyl 2-[(3,4,5-trimethoxybenzoyl)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 419.140258697 u
Formula C21H25NO6S
InChI InChI=1S/C21H25NO6S/c1-25-14-10-12(11-15(26-2)18(14)27-3)19(23)22-20-17(21(24)28-4)13-8-6-5-7-9-16(13)29-20/h10-11H,5-9H2,1-4H3,(H,22,23)
InChIKey HAPVNTWRLYJGMC-UHFFFAOYSA-N
Molecular Weight 419.492 g/mol
SMILES N(C1=C(C2=C(CCCCC2)S1)C(=O)OC)C(C1=CC(=C(C(=C1)OC)OC)OC)=O