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

*Links on SpectraBase are not permalinks.
2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID EJe5wqMNOHG
InChI InChI=1S/C17H14F3N3O2S/c1-25-10-6-7-13-14(8-10)23-16(22-13)26-9-15(24)21-12-5-3-2-4-11(12)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKey SCFDKNQVTGHWQF-UHFFFAOYSA-N
Mol Weight 381.37 g/mol
Molecular Formula C17H14F3N3O2S
Exact Mass 381.075882 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 Ak9XJGiY8nv
Name 2-[(5-Methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.075882364 u
Formula C17H14F3N3O2S
InChI InChI=1S/C17H14F3N3O2S/c1-25-10-6-7-13-14(8-10)23-16(22-13)26-9-15(24)21-12-5-3-2-4-11(12)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)
InChIKey SCFDKNQVTGHWQF-UHFFFAOYSA-N
Molecular Weight 381.373 g/mol
SMILES N1C2=CC=C(C=C2N=C1SCC(NC=1C(C(F)(F)F)=CC=CC1)=O)OC