| SpectraBase Compound ID | DJegqgqwAzn |
|---|---|
| InChI | InChI=1S/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3 |
| InChIKey | YZNHPLVFLRSVHY-UHFFFAOYSA-N |
| Mol Weight | 142.13 g/mol |
| Molecular Formula | C7H7FO2 |
| Exact Mass | 142.043008 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2kpPcBqXRpj |
|---|---|
| Name | Guaiacol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.043007626 u |
| Formula | C7H7FO2 |
| InChI | InChI=1S/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3 |
| InChIKey | YZNHPLVFLRSVHY-UHFFFAOYSA-N |
| Molecular Weight | 142.129 g/mol |
| Nominal Mass | 142 u |
| SMILES | COC1=C(O)C(F)=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.946692 |