| SpectraBase Compound ID | 2dfmPxxEyJz |
|---|---|
| InChI | InChI=1S/C10H6O5/c11-4-1-2-5(12)9-8(4)6(13)3-7(14)10(9)15/h1-3,13-15H |
| InChIKey | QKBXBCQWMIVSPR-UHFFFAOYSA-N |
| Mol Weight | 206.15 g/mol |
| Molecular Formula | C10H6O5 |
| Exact Mass | 206.021523 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DVjzhvZEoer |
|---|---|
| Name | 1,4-Naphthalenedione, 5,6,8-trihydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.021523288 u |
| Formula | C10H6O5 |
| InChI | InChI=1S/C10H6O5/c11-4-1-2-5(12)9-8(4)6(13)3-7(14)10(9)15/h1-3,13-15H |
| InChIKey | QKBXBCQWMIVSPR-UHFFFAOYSA-N |
| SMILES | OC=1C=2C(C=CC(C2C(=CC1O)O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.965968 |