| SpectraBase Compound ID | 8oumxqrx8xV |
|---|---|
| InChI | InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H |
| InChIKey | DGQOCLATAPFASR-UHFFFAOYSA-N |
| Mol Weight | 172.09 g/mol |
| Molecular Formula | C6H4O6 |
| Exact Mass | 172.000788 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BWPhIBPPJF0 |
|---|---|
| Name | Tetrahydroxy-p-benzoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.000787843 u |
| Formula | C6H4O6 |
| InChI | InChI=1S/C6H4O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8,11-12H |
| InChIKey | DGQOCLATAPFASR-UHFFFAOYSA-N |
| Molecular Weight | 172.092 g/mol |
| SMILES | OC1=C(C(C(=C(C1=O)O)O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.997299 |