| SpectraBase Compound ID | 35FGM9airxP |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-15-11-8-6-4-2-3-5-7-9-13-16(17)18-14-10-12-15/h1-14H2 |
| InChIKey | OAELDOSNVBHRST-UHFFFAOYSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 81mdlXReGgG |
|---|---|
| Name | 13-Methylene-oxacyclohexadecan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-15-11-8-6-4-2-3-5-7-9-13-16(17)18-14-10-12-15/h1-14H2 |
| InChIKey | OAELDOSNVBHRST-UHFFFAOYSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C1(OCCCC(=C)CCCCCCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954726 |