| SpectraBase Compound ID | 5HDFH8Ns1Uw |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-5-6(8)3-2-4-7(5)9/h5-9H,2-4H2,1H3 |
| InChIKey | ZFZLJTQEQCBDEB-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 | Cdf3j2toGyX |
|---|---|
| Name | 2-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/c1-5-6(8)3-2-4-7(5)9/h5-9H,2-4H2,1H3 |
| InChIKey | ZFZLJTQEQCBDEB-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C1(C(C(CCC1)O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845778 |