| SpectraBase Compound ID | J1LGMIhmZc |
|---|---|
| InChI | InChI=1S/C6H12O3/c7-4-1-2-5(8)6(9)3-4/h4-9H,1-3H2 |
| InChIKey | ZHMPXIDAUXCKIQ-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K5fXl5RH5BL |
|---|---|
| Name | 1,2,4-Cyclohexanetriol, (1.alpha.,2.alpha.,4.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c7-4-1-2-5(8)6(9)3-4/h4-9H,1-3H2 |
| InChIKey | ZHMPXIDAUXCKIQ-UHFFFAOYSA-N |
| SMILES | C1(O)C(O)CCC(C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885658 |