![3-chloro-N-[2-(1H-imidazol-4-yl)ethyl]-1-benzothiophene-2-carboxamide](/api/spectrum/78qyWppVcEl/structure.png?h=300&w=458 "3-chloro-N-[2-(1H-imidazol-4-yl)ethyl]-1-benzothiophene-2-carboxamide")
| SpectraBase Compound ID | Gz2eBRFr0qa |
|---|---|
| InChI | InChI=1S/C14H12ClN3OS/c15-12-10-3-1-2-4-11(10)20-13(12)14(19)17-6-5-9-7-16-8-18-9/h1-4,7-8H,5-6H2,(H,16,18)(H,17,19) |
| InChIKey | QXCIRODAONOLDG-UHFFFAOYSA-N |
| Mol Weight | 305.78 g/mol |
| Molecular Formula | C14H12ClN3OS |
| Exact Mass | 305.038961 g/mol |
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 | 78qyWppVcEl |
|---|---|
| Name | 3-Chloro-N-[2-(1H-imidazol-4-yl)ethyl]-1-benzothiophene-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.038960891 u |
| Formula | C14H12ClN3OS |
| InChI | InChI=1S/C14H12ClN3OS/c15-12-10-3-1-2-4-11(10)20-13(12)14(19)17-6-5-9-7-16-8-18-9/h1-4,7-8H,5-6H2,(H,16,18)(H,17,19) |
| InChIKey | QXCIRODAONOLDG-UHFFFAOYSA-N |
| SMILES | N(C(C=1SC=2C=CC=CC2C1Cl)=O)CCC1=CNC=N1 |