| SpectraBase Compound ID | FV8IEP8uReH |
|---|---|
| InChI | InChI=1S/C16H20N2S/c1-2-3-4-5-6-7-10-19-16-9-8-14(12-17)15(11-16)13-18/h8-9,11H,2-7,10H2,1H3 |
| InChIKey | IDRPTJJXSGHOKP-UHFFFAOYSA-N |
| Mol Weight | 272.41 g/mol |
| Molecular Formula | C16H20N2S |
| Exact Mass | 272.13472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBUdPzqyIjj |
|---|---|
| Name | 4-(Octylthio)benzene-1,2-dicarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.134719826 u |
| Formula | C16H20N2S |
| InChI | InChI=1S/C16H20N2S/c1-2-3-4-5-6-7-10-19-16-9-8-14(12-17)15(11-16)13-18/h8-9,11H,2-7,10H2,1H3 |
| InChIKey | IDRPTJJXSGHOKP-UHFFFAOYSA-N |
| Molecular Weight | 272.410 g/mol |
| SMILES | C(C=1C(C#N)=CC(=CC1)SCCCCCCCC)#N |