| SpectraBase Compound ID | K1fcrU8BAjG |
|---|---|
| InChI | InChI=1S/C14H11NO/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8,16H,10H2 |
| InChIKey | RFQWFUCIURIBPA-UHFFFAOYSA-N |
| Mol Weight | 209.25 g/mol |
| Molecular Formula | C14H11NO |
| Exact Mass | 209.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gJxKyD4L3x |
|---|---|
| Name | 2-(2-Methylolphenyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.084063977 u |
| Formula | C14H11NO |
| InChI | InChI=1S/C14H11NO/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8,16H,10H2 |
| InChIKey | RFQWFUCIURIBPA-UHFFFAOYSA-N |
| Molecular Weight | 209.248 g/mol |
| SMILES | C=1(C=2C(CO)=CC=CC2)C(C#N)=CC=CC1 |