| SpectraBase Compound ID | CDG4o6khqQa |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-11-15(17(19)20-2)14-12-10-13-16(14)18/h3,14-15H,1,4-13H2,2H3 |
| InChIKey | JWWRRGNYMYHRMP-UHFFFAOYSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2CEyUH22KbI |
|---|---|
| Name | Methyl 2-(2'-cyclopentanonyl)undec-10-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.203844759 u |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-11-15(17(19)20-2)14-12-10-13-16(14)18/h3,14-15H,1,4-13H2,2H3 |
| InChIKey | JWWRRGNYMYHRMP-UHFFFAOYSA-N |
| SMILES | C1CC(=O)C(C(CCCCCCCC=C)C(=O)OC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883818 |