| SpectraBase Compound ID | GVD3PvQVT8 |
|---|---|
| InChI | InChI=1S/C9H7N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,5-6H2 |
| InChIKey | UKNXXMRBUFQJHI-UHFFFAOYSA-N |
| Mol Weight | 205.23 g/mol |
| Molecular Formula | C9H7N3OS |
| Exact Mass | 205.030983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Q5Jbs04mSa |
|---|---|
| Name | N,N-bis(Cyanomethyl)-2-thiophenecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.030983030 u |
| Formula | C9H7N3OS |
| InChI | InChI=1S/C9H7N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,5-6H2 |
| InChIKey | UKNXXMRBUFQJHI-UHFFFAOYSA-N |
| Molecular Weight | 205.235 g/mol |
| SMILES | C1=CC=C(S1)C(N(CC#N)CC#N)=O |