![2-[(2-Cyanoethyl)thio]-4,6-dimethylnicotinonitrile](/api/spectrum/4LIvBJtnSUA/structure.png?h=300&w=458 "2-[(2-Cyanoethyl)thio]-4,6-dimethylnicotinonitrile")
| SpectraBase Compound ID | AFU7svVSLSM |
|---|---|
| InChI | InChI=1S/C11H11N3S/c1-8-6-9(2)14-11(10(8)7-13)15-5-3-4-12/h6H,3,5H2,1-2H3 |
| InChIKey | OCTAFTIHVLFMKI-UHFFFAOYSA-N |
| Mol Weight | 217.29 g/mol |
| Molecular Formula | C11H11N3S |
| Exact Mass | 217.067369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LIvBJtnSUA |
|---|---|
| Name | 2-[(2-Cyanoethyl)thio]-4,6-dimethylnicotinonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.067368540 u |
| Formula | C11H11N3S |
| InChI | InChI=1S/C11H11N3S/c1-8-6-9(2)14-11(10(8)7-13)15-5-3-4-12/h6H,3,5H2,1-2H3 |
| InChIKey | OCTAFTIHVLFMKI-UHFFFAOYSA-N |
| Molecular Weight | 217.290 g/mol |
| SMILES | C1=C(N=C(C(=C1C)C#N)SCCC#N)C |