| SpectraBase Compound ID | A5KaNKuHvVT |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-7(9)4-2-3-6(8)5-7/h6,8-9H,2-5H2,1H3 |
| InChIKey | JXONSAWSOYXJMA-UHFFFAOYSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AErKiaOa3JK |
|---|---|
| Name | 1-Methylcyclohexane-1,3-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-7(9)4-2-3-6(8)5-7/h6,8-9H,2-5H2,1H3 |
| InChIKey | JXONSAWSOYXJMA-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C1(CC(CCC1)(O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852495 |