| SpectraBase Compound ID | 5t0ZuaROKnl |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h10H,2-9H2,1H3 |
| InChIKey | IPGMIYAOWRJGBE-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8iKe2gbyTbw |
|---|---|
| Name | Cyclohexanecarboxylic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h10H,2-9H2,1H3 |
| InChIKey | IPGMIYAOWRJGBE-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | CCCCOC(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946941 |