![(S)-3-[(R/S)-Oct-7-en-4-yn-3-yloxy]non-1-ene](/api/spectrum/ADSim8XLjNb/structure.png?h=300&w=458 "(S)-3-[(R/S)-Oct-7-en-4-yn-3-yloxy]non-1-ene")
| SpectraBase Compound ID | DZogJ4XDL7l |
|---|---|
| InChI | InChI=1S/C17H28O/c1-5-9-11-13-15-17(8-4)18-16(7-3)14-12-10-6-2/h6,8,16-17H,2,4-5,7,9-11,13,15H2,1,3H3/t16-,17-/m1/s1 |
| InChIKey | SXPIIAAOUFCSJJ-IAGOWNOFSA-N |
| Mol Weight | 248.41 g/mol |
| Molecular Formula | C17H28O |
| Exact Mass | 248.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ADSim8XLjNb |
|---|---|
| Name | (S)-3-[(R/S)-oct-7-en-4-yn-3-Yloxy]non-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.214015521 u |
| Formula | C17H28O |
| InChI | InChI=1S/C17H28O/c1-5-9-11-13-15-17(8-4)18-16(7-3)14-12-10-6-2/h6,8,16-17H,2,4-5,7,9-11,13,15H2,1,3H3/t16-,17-/m1/s1 |
| InChIKey | SXPIIAAOUFCSJJ-IAGOWNOFSA-N |
| Molecular Weight | 248.410 g/mol |
| SMILES | C(#CCC=C)[C@](O[C@](C=C)(CCCCCC)[H])(CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880907 |