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2-[(4-phenylbutanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

View entire compound with spectra: 2 NMR

2-[(4-phenylbutanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID C792l7qTaBd
InChI InChI=1S/C20H24N2O2S/c21-19(24)18-15-11-5-2-6-12-16(15)25-20(18)22-17(23)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H2,21,24)(H,22,23)
InChIKey LXWSPXWJDZDNDJ-UHFFFAOYSA-N
Mol Weight 356.48 g/mol
Molecular Formula C20H24N2O2S
Exact Mass 356.155849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uGvtegNHde
Name 2-[(4-Phenylbutanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.155849193 u
Formula C20H24N2O2S
InChI InChI=1S/C20H24N2O2S/c21-19(24)18-15-11-5-2-6-12-16(15)25-20(18)22-17(23)13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H2,21,24)(H,22,23)
InChIKey LXWSPXWJDZDNDJ-UHFFFAOYSA-N
Molecular Weight 356.484 g/mol
SMILES N(C1=C(C(=O)N)C2=C(S1)CCCCC2)C(=O)CCCC=1C=CC=CC1