| SpectraBase Compound ID | JxhmnTRzVjW |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h12H,2-11H2,1H3 |
| InChIKey | QNVYTFRSSXVBQH-UHFFFAOYSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3gKSb6iSAVH |
|---|---|
| Name | Cyclohexanecarboxylic acid, hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h12H,2-11H2,1H3 |
| InChIKey | QNVYTFRSSXVBQH-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | CCCCCCOC(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970379 |