| SpectraBase Compound ID | 1GQ8xNfJNN0 |
|---|---|
| InChI | InChI=1S/C14H24O/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13/h12H,2-11H2,1H3 |
| InChIKey | LCGAMMCGMFSHDT-UHFFFAOYSA-N |
| Mol Weight | 208.34 g/mol |
| Molecular Formula | C14H24O |
| Exact Mass | 208.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Ab3Ylivapd |
|---|---|
| Name | 3-Octylcyclohex-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.182715392 u |
| Formula | C14H24O |
| InChI | InChI=1S/C14H24O/c1-2-3-4-5-6-7-9-13-10-8-11-14(15)12-13/h12H,2-11H2,1H3 |
| InChIKey | LCGAMMCGMFSHDT-UHFFFAOYSA-N |
| Molecular Weight | 208.345 g/mol |
| SMILES | C1=C(CCCC1=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966177 |