| SpectraBase Compound ID | 72VaWNz4Cef |
|---|---|
| InChI | InChI=1S/C6H11IO2/c1-2-5-9-6(8)3-4-7/h2-5H2,1H3 |
| InChIKey | CNTHQHNTVHYYJW-UHFFFAOYSA-N |
| Mol Weight | 242.06 g/mol |
| Molecular Formula | C6H11IO2 |
| Exact Mass | 241.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KK9mVzXkazt |
|---|---|
| Name | Propionic acid, 3-iodo-, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.980374592 u |
| Formula | C6H11IO2 |
| InChI | InChI=1S/C6H11IO2/c1-2-5-9-6(8)3-4-7/h2-5H2,1H3 |
| InChIKey | CNTHQHNTVHYYJW-UHFFFAOYSA-N |
| Molecular Weight | 242.056 g/mol |
| SMILES | C(CC(OCCC)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942819 |