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Methyl 2-{[3-(3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Methyl 2-{[3-(3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CMMHRM5GU09
InChI InChI=1S/C20H23NO4S/c1-13-6-5-7-14(12-13)25-11-10-17(22)21-19-18(20(23)24-2)15-8-3-4-9-16(15)26-19/h5-7,12H,3-4,8-11H2,1-2H3,(H,21,22)
InChIKey LSKIVJTVEIXEIO-UHFFFAOYSA-N
Mol Weight 373.47 g/mol
Molecular Formula C20H23NO4S
Exact Mass 373.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCZat1OhN3n
Name Methyl 2-{[3-(3-methylphenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 373.134779395 u
Formula C20H23NO4S
InChI InChI=1S/C20H23NO4S/c1-13-6-5-7-14(12-13)25-11-10-17(22)21-19-18(20(23)24-2)15-8-3-4-9-16(15)26-19/h5-7,12H,3-4,8-11H2,1-2H3,(H,21,22)
InChIKey LSKIVJTVEIXEIO-UHFFFAOYSA-N
Molecular Weight 373.467 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OC)C(CCOC1=CC(C)=CC=C1)=O