| SpectraBase Compound ID | 7TCeueBYQE5 |
|---|---|
| InChI | InChI=1S/C15H13NO/c16-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7H2 |
| InChIKey | WQIIHIWDWYKNKZ-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C15H13NO |
| Exact Mass | 223.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Au4UkjFs0bw |
|---|---|
| Name | 5-(Naphthalen-2-yl)-5-oxopentanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.099714042 u |
| Formula | C15H13NO |
| InChI | InChI=1S/C15H13NO/c16-10-4-3-7-15(17)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7H2 |
| InChIKey | WQIIHIWDWYKNKZ-UHFFFAOYSA-N |
| Molecular Weight | 223.275 g/mol |
| SMILES | C=1C(=CC=C2C1C=CC=C2)C(=O)CCCC#N |