| SpectraBase Compound ID | CBkAl53k3k |
|---|---|
| InChI | InChI=1S/C16H13N/c17-13-6-2-1-3-8-14-10-7-11-15-9-4-5-12-16(14)15/h4-5,7,9-12H,1-2,6H2 |
| InChIKey | HLLKDXUAJXAHQL-UHFFFAOYSA-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 | LkzMy4QuYgO |
|---|---|
| Name | 5-Cyano-1-(1-naphthyl)pent-1-yne |
| 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/c17-13-6-2-1-3-8-14-10-7-11-15-9-4-5-12-16(14)15/h4-5,7,9-12H,1-2,6H2 |
| InChIKey | HLLKDXUAJXAHQL-UHFFFAOYSA-N |
| Molecular Weight | 219.287 g/mol |
| SMILES | C(#CCCCC#N)C=1C=CC=C2C=CC=CC12 |