![N-[p-Chlorophenyl]thioxonicotinamide](/api/spectrum/EXj5uP4ytK7/structure.png?h=300&w=458 "N-[p-Chlorophenyl]thioxonicotinamide")
| SpectraBase Compound ID | KgWIQMeyIl3 |
|---|---|
| InChI | InChI=1S/C12H9ClN2S/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16) |
| InChIKey | ULEIGCSRSPVVAO-UHFFFAOYSA-N |
| Mol Weight | 248.73 g/mol |
| Molecular Formula | C12H9ClN2S |
| Exact Mass | 248.017497 g/mol |
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 | EXj5uP4ytK7 |
|---|---|
| Name | N-[p-Chlorophenyl]thioxonicotinamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.017497172 u |
| Formula | C12H9ClN2S |
| InChI | InChI=1S/C12H9ClN2S/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16) |
| InChIKey | ULEIGCSRSPVVAO-UHFFFAOYSA-N |
| Molecular Weight | 248.731 g/mol |
| SMILES | C1=CC(=CC=C1NC(C1=CC=NC=C1)=S)Cl |