| SpectraBase Compound ID | KZ0mWIlESdN |
|---|---|
| InChI | InChI=1S/C9H9ClN2OS/c1-5-6(2)14-9(7(5)4-11)12-8(13)3-10/h3H2,1-2H3,(H,12,13) |
| InChIKey | FIXRIQLWMBHSRM-UHFFFAOYSA-N |
| Mol Weight | 228.7 g/mol |
| Molecular Formula | C9H9ClN2OS |
| Exact Mass | 228.012412 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 | K5FvCJ8IfIA |
|---|---|
| Name | 2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.012411791 u |
| Formula | C9H9ClN2OS |
| InChI | InChI=1S/C9H9ClN2OS/c1-5-6(2)14-9(7(5)4-11)12-8(13)3-10/h3H2,1-2H3,(H,12,13) |
| InChIKey | FIXRIQLWMBHSRM-UHFFFAOYSA-N |
| Molecular Weight | 228.697 g/mol |
| SMILES | C(NC1=C(C#N)C(C)=C(S1)C)(CCl)=O |