| SpectraBase Compound ID | FDdT3O1sTPB |
|---|---|
| InChI | InChI=1S/C7H11IO3/c1-5-6(8)4-11-7(9)2-3-10-5/h5-6H,2-4H2,1H3 |
| InChIKey | VIMFZOJHGXFWOR-UHFFFAOYSA-N |
| Mol Weight | 270.07 g/mol |
| Molecular Formula | C7H11IO3 |
| Exact Mass | 269.975289 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CkLiAdDm4Bt |
|---|---|
| Name | 7-Iodanyl-6-methyl-1,5-dioxocan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.975289211 u |
| Formula | C7H11IO3 |
| InChI | InChI=1S/C7H11IO3/c1-5-6(8)4-11-7(9)2-3-10-5/h5-6H,2-4H2,1H3 |
| InChIKey | VIMFZOJHGXFWOR-UHFFFAOYSA-N |
| Molecular Weight | 270.066 g/mol |
| SMILES | C1(OCC(I)C(OCC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983056 |