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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

Ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID E3CIAJcfyHm
InChI InChI=1S/C18H17F2NO3S/c1-2-24-18(23)14-10-6-3-4-9-13(10)25-17(14)21-16(22)15-11(19)7-5-8-12(15)20/h5,7-8H,2-4,6,9H2,1H3,(H,21,22)
InChIKey XPKRBSLUWFSEHC-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C18H17F2NO3S
Exact Mass 365.089721 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 ESMiGj4x8wL
Name Ethyl 2-[(2,6-difluorobenzoyl)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 365.089720908 u
Formula C18H17F2NO3S
InChI InChI=1S/C18H17F2NO3S/c1-2-24-18(23)14-10-6-3-4-9-13(10)25-17(14)21-16(22)15-11(19)7-5-8-12(15)20/h5,7-8H,2-4,6,9H2,1H3,(H,21,22)
InChIKey XPKRBSLUWFSEHC-UHFFFAOYSA-N
Molecular Weight 365.395 g/mol
SMILES N(C(C1=C(F)C=CC=C1F)=O)C1=C(C=2CCCCC2S1)C(=O)OCC