| SpectraBase Compound ID | GRtInLBXbwS |
|---|---|
| InChI | InChI=1S/C11H18O2/c12-11(9-5-4-6-9)13-10-7-2-1-3-8-10/h9-10H,1-8H2 |
| InChIKey | LXIGUGMNPCXYKC-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EDoos5U9CqJ |
|---|---|
| Name | Cyclobutanecarboxylic acid, cyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c12-11(9-5-4-6-9)13-10-7-2-1-3-8-10/h9-10H,1-8H2 |
| InChIKey | LXIGUGMNPCXYKC-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1(CCCCC1)OC(=O)C1CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940645 |