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

*Links on SpectraBase are not permalinks.

3-chloro-N-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

View entire compound with spectra: 2 NMR

3-chloro-N-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SpectraBase Compound ID 21PcfMnWAJo
InChI InChI=1S/C22H19ClN2OS2/c1-13(2)11-14-7-9-15(10-8-14)17-12-27-22(24-17)25-21(26)20-19(23)16-5-3-4-6-18(16)28-20/h3-10,12-13H,11H2,1-2H3,(H,24,25,26)
InChIKey WDTBKJLHMQBPCQ-UHFFFAOYSA-N
Mol Weight 426.98 g/mol
Molecular Formula C22H19ClN2OS2
Exact Mass 426.062733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID H7K21ChWjM7
Name 3-Chloro-N-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.062733287 u
Formula C22H19ClN2OS2
InChI InChI=1S/C22H19ClN2OS2/c1-13(2)11-14-7-9-15(10-8-14)17-12-27-22(24-17)25-21(26)20-19(23)16-5-3-4-6-18(16)28-20/h3-10,12-13H,11H2,1-2H3,(H,24,25,26)
InChIKey WDTBKJLHMQBPCQ-UHFFFAOYSA-N
Molecular Weight 426.980 g/mol
SMILES N(C1=NC(C2=CC=C(C=C2)CC(C)C)=CS1)C(C=1SC=2C=CC=CC2C1Cl)=O