| SpectraBase Compound ID | FSXyFZePB3I |
|---|---|
| InChI | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(19)16-17/h17H,2-16H2,1H3 |
| InChIKey | HTJVQOQJHPHTBU-UHFFFAOYSA-N |
| Mol Weight | 266.5 g/mol |
| Molecular Formula | C18H34O |
| Exact Mass | 266.260966 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L0bCYmEOyrP |
|---|---|
| Name | 3-Dodecylcyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.260965714 u |
| Formula | C18H34O |
| InChI | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(19)16-17/h17H,2-16H2,1H3 |
| InChIKey | HTJVQOQJHPHTBU-UHFFFAOYSA-N |
| Molecular Weight | 266.469 g/mol |
| SMILES | C1CC(CC(C1)CCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830139 |