| SpectraBase Compound ID | FQQuj0PBier |
|---|---|
| InChI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1 |
| InChIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-M |
| Mol Weight | 93.1 g/mol |
| Molecular Formula | C6H5O |
| Exact Mass | 93.03404 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3qvwamM4vx3 |
|---|---|
| Name | Phenolate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 93.034039780 u |
| Formula | C6H5O |
| InChI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1 |
| InChIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-M |
| Molecular Weight | 93.105 g/mol |
| SMILES | C=1([O-])C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.991816 |