| SpectraBase Compound ID | 61X9qQQz5Wu |
|---|---|
| InChI | InChI=1S/C5H7I3O2/c1-10-5(9)3(6)2-4(7)8/h3-4H,2H2,1H3 |
| InChIKey | OCYQFNRTDMLBJV-UHFFFAOYSA-N |
| Mol Weight | 479.82 g/mol |
| Molecular Formula | C5H7I3O2 |
| Exact Mass | 479.758014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IkZwwxure3B |
|---|---|
| Name | 1,3,3-Triiodo-3-(methoxycarbony)propane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 479.758014463 u |
| Formula | C5H7I3O2 |
| InChI | InChI=1S/C5H7I3O2/c1-10-5(9)3(6)2-4(7)8/h3-4H,2H2,1H3 |
| InChIKey | OCYQFNRTDMLBJV-UHFFFAOYSA-N |
| Molecular Weight | 479.822 g/mol |
| SMILES | C(C(C(=O)OC)I)C(I)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838271 |