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

*Links on SpectraBase are not permalinks.

Isopropyl 2-[(4-butoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Isopropyl 2-[(4-butoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID ABSvJMZxJsQ
InChI InChI=1S/C23H29NO4S/c1-4-5-14-27-17-12-10-16(11-13-17)21(25)24-22-20(23(26)28-15(2)3)18-8-6-7-9-19(18)29-22/h10-13,15H,4-9,14H2,1-3H3,(H,24,25)
InChIKey ZTJWZQQBLOTVQG-UHFFFAOYSA-N
Mol Weight 415.55 g/mol
Molecular Formula C23H29NO4S
Exact Mass 415.18173 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 LwIgurvqNd
Name Isopropyl 2-[(4-butoxybenzoyl)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 415.181729588 u
Formula C23H29NO4S
InChI InChI=1S/C23H29NO4S/c1-4-5-14-27-17-12-10-16(11-13-17)21(25)24-22-20(23(26)28-15(2)3)18-8-6-7-9-19(18)29-22/h10-13,15H,4-9,14H2,1-3H3,(H,24,25)
InChIKey ZTJWZQQBLOTVQG-UHFFFAOYSA-N
Molecular Weight 415.548 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C2=C(CCCC2)S1)C(C=1C=CC(OCCCC)=CC1)=O