| SpectraBase Compound ID | IJroiUfbNPD |
|---|---|
| InChI | InChI=1S/C15H17N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-12H,2-6H2,1H3 |
| InChIKey | NZAFXMNWVHJORA-UHFFFAOYSA-N |
| Mol Weight | 211.31 g/mol |
| Molecular Formula | C15H17N |
| Exact Mass | 211.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1P5ta6PLN8J |
|---|---|
| Name | Benzonitrile, 4-(1-octynyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.136099551 u |
| Formula | C15H17N |
| InChI | InChI=1S/C15H17N/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-12H,2-6H2,1H3 |
| InChIKey | NZAFXMNWVHJORA-UHFFFAOYSA-N |
| Molecular Weight | 211.308 g/mol |
| SMILES | CCCCCCC#CC1=CC=C(C#N)C=C1 |