| SpectraBase Compound ID | 2Gl6jKO4Ewj |
|---|---|
| InChI | InChI=1S/C7H6O3/c1-4-5(8)2-3-6(9)7(4)10/h2-3,10H,1H3 |
| InChIKey | CGINXMWZYDKDBX-UHFFFAOYSA-N |
| Mol Weight | 138.12 g/mol |
| Molecular Formula | C7H6O3 |
| Exact Mass | 138.031694 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GnkgU8Ejg1P |
|---|---|
| Name | 2-Hydroxy-3-methyl-p-benzoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.031694050 u |
| Formula | C7H6O3 |
| InChI | InChI=1S/C7H6O3/c1-4-5(8)2-3-6(9)7(4)10/h2-3,10H,1H3 |
| InChIKey | CGINXMWZYDKDBX-UHFFFAOYSA-N |
| Molecular Weight | 138.122 g/mol |
| SMILES | OC=1C(=O)C=CC(C1C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.961309 |