| SpectraBase Compound ID | 1qYq0NCn9Qo |
|---|---|
| InChI | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H |
| InChIKey | RDJUHLUBPADHNP-UHFFFAOYSA-N |
| Mol Weight | 142.11 g/mol |
| Molecular Formula | C6H6O4 |
| Exact Mass | 142.026609 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 82dmkBMMq7m |
|---|---|
| Name | 1,2,3,5-Benzenetetrol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.026608669 u |
| Formula | C6H6O4 |
| InChI | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H |
| InChIKey | RDJUHLUBPADHNP-UHFFFAOYSA-N |
| Molecular Weight | 142.110 g/mol |
| SMILES | C=1(C(=CC(=CC1O)O)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913745 |