| SpectraBase Compound ID | 2M1fgc26Ldb |
|---|---|
| InChI | InChI=1S/C9H13IO/c1-2-9(11)7-5-3-4-6-8-10/h2-4H,1,5-8H2/b4-3+ |
| InChIKey | COJOUDNEIAMQIT-ONEGZZNKSA-N |
| Mol Weight | 264.11 g/mol |
| Molecular Formula | C9H13IO |
| Exact Mass | 264.00111 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FjAILFqLxhE |
|---|---|
| Name | (E)-9-Iodonona-1,6-dien-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.001110038 u |
| Formula | C9H13IO |
| InChI | InChI=1S/C9H13IO/c1-2-9(11)7-5-3-4-6-8-10/h2-4H,1,5-8H2/b4-3+ |
| InChIKey | COJOUDNEIAMQIT-ONEGZZNKSA-N |
| Molecular Weight | 264.106 g/mol |
| SMILES | C=CC(CC\C=C\CCI)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807736 |