| SpectraBase Compound ID | 7DH5MSJ2K5b |
|---|---|
| InChI | InChI=1S/C9H18O/c1-3-8-6-4-5-7-9(8,2)10/h8,10H,3-7H2,1-2H3/t8-,9-/m0/s1 |
| InChIKey | SJHFERYLLVRQKM-IUCAKERBSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GiiRp05JjGQ |
|---|---|
| Name | (1S,2S)-2-Ethyl-1-methyl-cyclohexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-3-8-6-4-5-7-9(8,2)10/h8,10H,3-7H2,1-2H3/t8-,9-/m0/s1 |
| InChIKey | SJHFERYLLVRQKM-IUCAKERBSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | [C@@]1([C@@](CC)(CCCC1)[H])(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955974 |