| SpectraBase Compound ID | IS7euN6wu58 |
|---|---|
| InChI | InChI=1S/C14H22O/c1-3-4-5-7-10-14(13(2)15)11-8-6-9-12-14/h3-6,8-9,11-12H2,1-2H3 |
| InChIKey | FEHBTRBOSSLYGN-UHFFFAOYSA-N |
| Mol Weight | 206.33 g/mol |
| Molecular Formula | C14H22O |
| Exact Mass | 206.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FXdzslB9kd1 |
|---|---|
| Name | 1-Acetyl-1-(hexynyl)cyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.167065327 u |
| Formula | C14H22O |
| InChI | InChI=1S/C14H22O/c1-3-4-5-7-10-14(13(2)15)11-8-6-9-12-14/h3-6,8-9,11-12H2,1-2H3 |
| InChIKey | FEHBTRBOSSLYGN-UHFFFAOYSA-N |
| Molecular Weight | 206.329 g/mol |
| SMILES | C1(CCCCC1)(C#CCCCC)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903828 |