| SpectraBase Compound ID | LblSt3jy1E9 |
|---|---|
| InChI | InChI=1S/C8H15IO2/c1-4-6-8(3,9)7(10)11-5-2/h4-6H2,1-3H3 |
| InChIKey | MEXATGAVMZHWTD-UHFFFAOYSA-N |
| Mol Weight | 270.11 g/mol |
| Molecular Formula | C8H15IO2 |
| Exact Mass | 270.011675 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HKdHmdoU9z6 |
|---|---|
| Name | Ethyl 2-iodo-2-methylpentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.011674721 u |
| Formula | C8H15IO2 |
| InChI | InChI=1S/C8H15IO2/c1-4-6-8(3,9)7(10)11-5-2/h4-6H2,1-3H3 |
| InChIKey | MEXATGAVMZHWTD-UHFFFAOYSA-N |
| Molecular Weight | 270.110 g/mol |
| SMILES | C(C(CCC)(C)I)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968178 |