| SpectraBase Compound ID | 1l5JWmzmzzG |
|---|---|
| InChI | InChI=1S/C13H11NO/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15H,7H2 |
| InChIKey | MHUBDEWQYBFREA-UHFFFAOYSA-N |
| Mol Weight | 197.24 g/mol |
| Molecular Formula | C13H11NO |
| Exact Mass | 197.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkedA49BUnG |
|---|---|
| Name | 3-Hydroxy-3-(2-naphthalenyl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.084063977 u |
| Formula | C13H11NO |
| InChI | InChI=1S/C13H11NO/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15H,7H2 |
| InChIKey | MHUBDEWQYBFREA-UHFFFAOYSA-N |
| Molecular Weight | 197.237 g/mol |
| SMILES | C(#N)CC(C=1C=C2C=CC=CC2=CC1)O |