| SpectraBase Compound ID | canBUswaC6 |
|---|---|
| InChI | InChI=1S/C8H7NO2/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4,10H,1H3 |
| InChIKey | RXUUWXWVOHQXLN-UHFFFAOYSA-N |
| Mol Weight | 149.15 g/mol |
| Molecular Formula | C8H7NO2 |
| Exact Mass | 149.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D8LMzjFn15A |
|---|---|
| Name | 4-Hydroxy-2-methoxybenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.047678467 u |
| Formula | C8H7NO2 |
| InChI | InChI=1S/C8H7NO2/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4,10H,1H3 |
| InChIKey | RXUUWXWVOHQXLN-UHFFFAOYSA-N |
| Molecular Weight | 149.149 g/mol |
| SMILES | C(#N)C=1C(=CC(=CC1)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884832 |