| SpectraBase Compound ID | LsVR2mWcEk0 |
|---|---|
| InChI | InChI=1S/C12H20O2/c13-12(10-6-2-1-3-7-10)14-11-8-4-5-9-11/h10-11H,1-9H2 |
| InChIKey | KQQZVZAIUNPDDH-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LPOjt4VlSPb |
|---|---|
| Name | Cyclohexanecarboxylic acid, cyclopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c13-12(10-6-2-1-3-7-10)14-11-8-4-5-9-11/h10-11H,1-9H2 |
| InChIKey | KQQZVZAIUNPDDH-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1C(CCC1)OC(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97264 |