| SpectraBase Compound ID | 5shi7TQN1Yc |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-3-5-7-10-15(18)11-8-12-17(20)14-13-16(19)9-6-4-2/h3H,1,4-14H2,2H3 |
| InChIKey | BQIRCLKEHYXARH-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 | JDmhv63L13B |
|---|---|
| Name | 16-Heptadecen-5,8,12-trione |
| 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/c1-3-5-7-10-15(18)11-8-12-17(20)14-13-16(19)9-6-4-2/h3H,1,4-14H2,2H3 |
| InChIKey | BQIRCLKEHYXARH-UHFFFAOYSA-N |
| SMILES | CCCCC(CCC(CCCC(CCCC=C)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848879 |