| SpectraBase Compound ID | GmdUKWnuqfv |
|---|---|
| InChI | InChI=1S/C11H21IO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-10H2,1H3 |
| InChIKey | IBTOBYKVXQPQGO-UHFFFAOYSA-N |
| Mol Weight | 312.19 g/mol |
| Molecular Formula | C11H21IO2 |
| Exact Mass | 312.058625 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | QKak0V9m07 |
|---|---|
| Name | Propionic acid, 3-iodo-, octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.058624914 u |
| Formula | C11H21IO2 |
| InChI | InChI=1S/C11H21IO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-10H2,1H3 |
| InChIKey | IBTOBYKVXQPQGO-UHFFFAOYSA-N |
| Molecular Weight | 312.191 g/mol |
| SMILES | C(CC(OCCCCCCCC)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833508 |