| SpectraBase Compound ID | CPDMtKSSgAO |
|---|---|
| InChI | InChI=1S/C13H10N2S/c1-10-6-7-12(16-10)9-15-13-5-3-2-4-11(13)8-14/h2-7,9H,1H3/b15-9+ |
| InChIKey | DWURSIIDCCTTQW-OQLLNIDSSA-N |
| Mol Weight | 226.3 g/mol |
| Molecular Formula | C13H10N2S |
| Exact Mass | 226.05647 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 | PbvhavXhYr |
|---|---|
| Name | Benzonitrile, 2-(5-methyl-2-thienylmethylideneamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.056469504 u |
| Formula | C13H10N2S |
| InChI | InChI=1S/C13H10N2S/c1-10-6-7-12(16-10)9-15-13-5-3-2-4-11(13)8-14/h2-7,9H,1H3/b15-9+ |
| InChIKey | DWURSIIDCCTTQW-OQLLNIDSSA-N |
| Molecular Weight | 226.297 g/mol |
| SMILES | C1(\N=C\C2=CC=C(C)S2)=CC=CC=C1C#N |