| SpectraBase Compound ID | 8bv7yEJOcHo |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2/h4H,2-3,5-15H2,1H3 |
| InChIKey | XOALFFJGWSCQEO-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GMh4cqhstnq |
|---|---|
| Name | 2-Propenoic acid, tridecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2/h4H,2-3,5-15H2,1H3 |
| InChIKey | XOALFFJGWSCQEO-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(CCCCCCCCCCC)COC(C=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836934 |