| SpectraBase Compound ID | HMVBG7W68ly |
|---|---|
| InChI | InChI=1S/C5H7IO2/c1-3-4(6)2-8-5(3)7/h3-4H,2H2,1H3/t3-,4+/m0/s1 |
| InChIKey | ZAJPEEIHMJLXQT-IUYQGCFVSA-N |
| Mol Weight | 226.01 g/mol |
| Molecular Formula | C5H7IO2 |
| Exact Mass | 225.949074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HiM9JbI91Ly |
|---|---|
| Name | (3R,4S)-4-Iodo-3-methyldihydrofuran-2(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.949074463 u |
| Formula | C5H7IO2 |
| InChI | InChI=1S/C5H7IO2/c1-3-4(6)2-8-5(3)7/h3-4H,2H2,1H3/t3-,4+/m0/s1 |
| InChIKey | ZAJPEEIHMJLXQT-IUYQGCFVSA-N |
| Molecular Weight | 226.013 g/mol |
| SMILES | C1(OC[C@]([C@@]1(C)[H])(I)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963484 |