| SpectraBase Compound ID | Kr2X2i7P62D |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-10-16(19)13-14-17(20)12-11-15(2)18/h3H,1,4-14H2,2H3 |
| InChIKey | KFDKKLLKEDCBEQ-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 | 4HD7H1zD6Oh |
|---|---|
| Name | 16-Heptadecen-2,5,8-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/c1-3-4-5-6-7-8-9-10-16(19)13-14-17(20)12-11-15(2)18/h3H,1,4-14H2,2H3 |
| InChIKey | KFDKKLLKEDCBEQ-UHFFFAOYSA-N |
| SMILES | C(CC(CCC(CCCCCCCC=C)=O)=O)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950974 |