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

View entire compound with spectra: 2 NMR

Methyl 2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Gu7RIoodKpC
InChI InChI=1S/C18H19NO4S/c1-22-13-9-5-3-7-11(13)16(20)19-17-15(18(21)23-2)12-8-4-6-10-14(12)24-17/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,19,20)
InChIKey MUAIVCJIFGFFHW-UHFFFAOYSA-N
Mol Weight 345.41 g/mol
Molecular Formula C18H19NO4S
Exact Mass 345.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpresIqvADG
Name Methyl 2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 345.103479266 u
Formula C18H19NO4S
InChI InChI=1S/C18H19NO4S/c1-22-13-9-5-3-7-11(13)16(20)19-17-15(18(21)23-2)12-8-4-6-10-14(12)24-17/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,19,20)
InChIKey MUAIVCJIFGFFHW-UHFFFAOYSA-N
Molecular Weight 345.413 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OC)C(C=1C(OC)=CC=CC1)=O