| SpectraBase Compound ID | 7XRsGVxWERB |
|---|---|
| InChI | InChI=1S/C12H21IO/c13-10-6-5-8-11-7-3-1-2-4-9-12(11)14/h11H,1-10H2 |
| InChIKey | WSEAEFSWACKGDK-UHFFFAOYSA-N |
| Mol Weight | 308.2 g/mol |
| Molecular Formula | C12H21IO |
| Exact Mass | 308.06371 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FXQGOcNItZ9 |
|---|---|
| Name | 2-(4-Iodobutyl)cyclooctanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.063710295 u |
| Formula | C12H21IO |
| InChI | InChI=1S/C12H21IO/c13-10-6-5-8-11-7-3-1-2-4-9-12(11)14/h11H,1-10H2 |
| InChIKey | WSEAEFSWACKGDK-UHFFFAOYSA-N |
| Molecular Weight | 308.203 g/mol |
| SMILES | C1(C(CCCCCC1)CCCCI)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870496 |