For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Ethyl 6-methyl-2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Ethyl 6-methyl-2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CA7tmdOib31
InChI InChI=1S/C22H27NO3S/c1-4-16(15-9-7-6-8-10-15)20(24)23-21-19(22(25)26-5-2)17-12-11-14(3)13-18(17)27-21/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,23,24)
InChIKey IVCSGLCPAWRWJW-UHFFFAOYSA-N
Mol Weight 385.52 g/mol
Molecular Formula C22H27NO3S
Exact Mass 385.171165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5CpZ78Jp2nD
Name Ethyl 6-methyl-2-[(2-phenylbutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.171164904 u
Formula C22H27NO3S
InChI InChI=1S/C22H27NO3S/c1-4-16(15-9-7-6-8-10-15)20(24)23-21-19(22(25)26-5-2)17-12-11-14(3)13-18(17)27-21/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,23,24)
InChIKey IVCSGLCPAWRWJW-UHFFFAOYSA-N
Molecular Weight 385.522 g/mol
SMILES N(C1=C(C=2CCC(CC2S1)C)C(=O)OCC)C(C(C=1C=CC=CC1)CC)=O