| SpectraBase Compound ID | HID64EZAPRY |
|---|---|
| InChI | InChI=1S/C6H11IO3/c1-4(8)5(7)6(9-2)10-3/h5-6H,1-3H3 |
| InChIKey | DROKACOOXXLGNX-UHFFFAOYSA-N |
| Mol Weight | 258.06 g/mol |
| Molecular Formula | C6H11IO3 |
| Exact Mass | 257.975289 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1tTS92q2L8w |
|---|---|
| Name | 3-Iodo-4,4-dimethoxybutan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.975289211 u |
| Formula | C6H11IO3 |
| InChI | InChI=1S/C6H11IO3/c1-4(8)5(7)6(9-2)10-3/h5-6H,1-3H3 |
| InChIKey | DROKACOOXXLGNX-UHFFFAOYSA-N |
| Molecular Weight | 258.055 g/mol |
| SMILES | CC(C(C(OC)OC)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965961 |