| SpectraBase Compound ID | CRBNfPD3M8c |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h13H,2-12H2,1H3 |
| InChIKey | NUUQQOTYKFJRDX-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kj8DqwAqZhx |
|---|---|
| Name | Cyclohexanecarboxylic acid, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h13H,2-12H2,1H3 |
| InChIKey | NUUQQOTYKFJRDX-UHFFFAOYSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | CCCCCCCOC(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970212 |