| SpectraBase Compound ID | IXoMCWmRJrS |
|---|---|
| InChI | InChI=1S/C15H26O2/c1-3-5-7-8-9-10-11-12-14-17-15(16)13-6-4-2/h3-5,7-12,14H2,1-2H3 |
| InChIKey | XFFNLDQWVGPCGC-UHFFFAOYSA-N |
| Mol Weight | 238.37 g/mol |
| Molecular Formula | C15H26O2 |
| Exact Mass | 238.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5P1HpZFmk1p |
|---|---|
| Name | N-Decyl pent-2-ynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.193280075 u |
| Formula | C15H26O2 |
| InChI | InChI=1S/C15H26O2/c1-3-5-7-8-9-10-11-12-14-17-15(16)13-6-4-2/h3-5,7-12,14H2,1-2H3 |
| InChIKey | XFFNLDQWVGPCGC-UHFFFAOYSA-N |
| Molecular Weight | 238.371 g/mol |
| SMILES | C(C#CCC)(=O)OCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961775 |