| SpectraBase Compound ID | 16ZEzXqSUXR |
|---|---|
| InChI | InChI=1S/C7H13IO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3 |
| InChIKey | UKMGYUDNQFXVMF-UHFFFAOYSA-N |
| Mol Weight | 256.08 g/mol |
| Molecular Formula | C7H13IO2 |
| Exact Mass | 255.996025 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G1kpkt9ZB4t |
|---|---|
| Name | Propionic acid, 3-iodo-, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.996024657 u |
| Formula | C7H13IO2 |
| InChI | InChI=1S/C7H13IO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3 |
| InChIKey | UKMGYUDNQFXVMF-UHFFFAOYSA-N |
| Molecular Weight | 256.083 g/mol |
| SMILES | C(CC(OCC(C)C)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968213 |