| SpectraBase Compound ID | Cz8nvYlcm7M |
|---|---|
| InChI | InChI=1S/C13H15NS/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,7-9,11H,1-2,6,12H2/b11-7+ |
| InChIKey | PNPPZFXNERRRNV-YRNVUSSQSA-N |
| Mol Weight | 217.33 g/mol |
| Molecular Formula | C13H15NS |
| Exact Mass | 217.092521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzVYYIky8Yn |
|---|---|
| Name | 1-(Benzylthio)-5-cyanopent-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.092520661 u |
| Formula | C13H15NS |
| InChI | InChI=1S/C13H15NS/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,7-9,11H,1-2,6,12H2/b11-7+ |
| InChIKey | PNPPZFXNERRRNV-YRNVUSSQSA-N |
| Molecular Weight | 217.330 g/mol |
| SMILES | C(\C=C\SCC=1C=CC=CC1)CCC#N |