| SpectraBase Compound ID | 5Ol8Nj40JPJ |
|---|---|
| InChI | InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H |
| InChIKey | VWPUAXALDFFXJW-UHFFFAOYSA-N |
| Mol Weight | 174.11 g/mol |
| Molecular Formula | C6H6O6 |
| Exact Mass | 174.016438 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 392C0g6b6G2 |
|---|---|
| Name | Benzenehexol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.016437907 u |
| Formula | C6H6O6 |
| InChI | InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H |
| InChIKey | VWPUAXALDFFXJW-UHFFFAOYSA-N |
| Molecular Weight | 174.108 g/mol |
| SMILES | OC=1C(=C(C(=C(C1O)O)O)O)O |
| Spectrum/Structure Validation Score (Raman) | 0.963261 |