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

*Links on SpectraBase are not permalinks.

benzo[b]thiophene-3-carboxamide, 2-[(2,2-dimethyl-1-oxopropyl)amino]-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-

View entire compound with spectra: 2 NMR

benzo[b]thiophene-3-carboxamide, 2-[(2,2-dimethyl-1-oxopropyl)amino]-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-
SpectraBase Compound ID 5NgeHu7e4uS
InChI InChI=1S/C22H28N2O3S/c1-5-27-16-12-8-7-11-15(16)23-19(25)18-14-10-6-9-13-17(14)28-20(18)24-21(26)22(2,3)4/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKey YRIHNVPRZREDII-UHFFFAOYSA-N
Mol Weight 400.54 g/mol
Molecular Formula C22H28N2O3S
Exact Mass 400.182064 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 AnssTZBVqtN
Name Benzo[B]thiophene-3-carboxamide, 2-[(2,2-dimethyl-1-oxopropyl)amino]-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.182063941 u
Formula C22H28N2O3S
InChI InChI=1S/C22H28N2O3S/c1-5-27-16-12-8-7-11-15(16)23-19(25)18-14-10-6-9-13-17(14)28-20(18)24-21(26)22(2,3)4/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKey YRIHNVPRZREDII-UHFFFAOYSA-N
Molecular Weight 400.537 g/mol
SMILES N(C1=C(C(NC=2C(OCC)=CC=CC2)=O)C2=C(S1)CCCC2)C(C(C)(C)C)=O