| SpectraBase Compound ID | Fy9VrVERkbz |
|---|---|
| InChI | InChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-17(18)15-4-2/h3-12,15-16H2,1-2H3 |
| InChIKey | SLUOGOVTFIUZSK-UHFFFAOYSA-N |
| Mol Weight | 266.42 g/mol |
| Molecular Formula | C17H30O2 |
| Exact Mass | 266.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4xQF2tNM52N |
|---|---|
| Name | Butanoic acid, tridec-2-ynyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.224580204 u |
| Formula | C17H30O2 |
| InChI | InChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-17(18)15-4-2/h3-12,15-16H2,1-2H3 |
| InChIKey | SLUOGOVTFIUZSK-UHFFFAOYSA-N |
| Molecular Weight | 266.425 g/mol |
| SMILES | CCCC(=O)OCC#CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96314 |