| SpectraBase Compound ID | 2fMZzzhJdCh |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3 |
| InChIKey | JDAOTUODVUHBNW-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LUVz2kbmsIU |
|---|---|
| Name | 1-Cyclohexylethanol, 2-methylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-9(2)12(13)14-10(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3 |
| InChIKey | JDAOTUODVUHBNW-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C1CCCCC1C(C)OC(C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892925 |