| SpectraBase Compound ID | tWqJ3GweWk |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h8-9,11H,2-7H2,1H3 |
| InChIKey | SSCYUSYVOSLHKX-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BHNkAa1bVGe |
|---|---|
| Name | 1-Cyclohexyl-2-hydroxy-1-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h8-9,11H,2-7H2,1H3 |
| InChIKey | SSCYUSYVOSLHKX-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(=O)(C1CCCCC1)C(O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80249 |