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2-[(2-Phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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2-[(2-Phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 2Jsh6JfuKU3
InChI InChI=1S/C19H22N2O2S/c1-2-13(12-8-4-3-5-9-12)18(23)21-19-16(17(20)22)14-10-6-7-11-15(14)24-19/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H2,20,22)(H,21,23)
InChIKey GFNXSPDUMGCCFJ-UHFFFAOYSA-N
Mol Weight 342.46 g/mol
Molecular Formula C19H22N2O2S
Exact Mass 342.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8LaSqzZujSB
Name 2-[(2-Phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.140199128 u
Formula C19H22N2O2S
InChI InChI=1S/C19H22N2O2S/c1-2-13(12-8-4-3-5-9-12)18(23)21-19-16(17(20)22)14-10-6-7-11-15(14)24-19/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H2,20,22)(H,21,23)
InChIKey GFNXSPDUMGCCFJ-UHFFFAOYSA-N
SMILES N(C1=C(C(=O)N)C2=C(S1)CCCC2)C(C(C=1C=CC=CC1)CC)=O