| SpectraBase Compound ID | 68AaVuiVC2N |
|---|---|
| InChI | InChI=1S/C5H9IO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3 |
| InChIKey | KZTNQOAFISZIEI-UHFFFAOYSA-N |
| Mol Weight | 228.03 g/mol |
| Molecular Formula | C5H9IO2 |
| Exact Mass | 227.964725 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BRtspNQQtno |
|---|---|
| Name | Propionic acid, 3-iodo-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.964724528 u |
| Formula | C5H9IO2 |
| InChI | InChI=1S/C5H9IO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3 |
| InChIKey | KZTNQOAFISZIEI-UHFFFAOYSA-N |
| Molecular Weight | 228.029 g/mol |
| SMILES | C(CC(OCC)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900739 |