| SpectraBase Compound ID | 3zWxJfZ4wD1 |
|---|---|
| InChI | InChI=1S/C9H15IO/c10-8-4-1-2-6-9(11)7-3-5-8/h8H,1-7H2 |
| InChIKey | JVNPUOWHQTUWSP-UHFFFAOYSA-N |
| Mol Weight | 266.12 g/mol |
| Molecular Formula | C9H15IO |
| Exact Mass | 266.01676 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2dGh0mfwyLu |
|---|---|
| Name | 5-Iodanylcyclononan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.016760102 u |
| Formula | C9H15IO |
| InChI | InChI=1S/C9H15IO/c10-8-4-1-2-6-9(11)7-3-5-8/h8H,1-7H2 |
| InChIKey | JVNPUOWHQTUWSP-UHFFFAOYSA-N |
| Molecular Weight | 266.122 g/mol |
| SMILES | C1(=O)CCCC(I)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978098 |