| SpectraBase Compound ID | LBFPA8VwRab |
|---|---|
| InChI | InChI=1S/C16H13N/c1-13-6-5-7-14(10-13)11-16(12-17)15-8-3-2-4-9-15/h2-11H,1H3/b16-11+ |
| InChIKey | YVAKKBXUEVFGOU-LFIBNONCSA-N |
| Mol Weight | 219.29 g/mol |
| Molecular Formula | C16H13N |
| Exact Mass | 219.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkhPtGYwymJ |
|---|---|
| Name | Toluene, 3-(2-cyano-2-phenylethenyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.104799423 u |
| Formula | C16H13N |
| InChI | InChI=1S/C16H13N/c1-13-6-5-7-14(10-13)11-16(12-17)15-8-3-2-4-9-15/h2-11H,1H3/b16-11+ |
| InChIKey | YVAKKBXUEVFGOU-LFIBNONCSA-N |
| Molecular Weight | 219.287 g/mol |
| SMILES | C1(=CC(=CC=C1)C)\C=C/(C#N)C1=CC=CC=C1 |