| SpectraBase Compound ID | 7CkNLPV2UjA |
|---|---|
| InChI | InChI=1S/C5H7IO2/c6-2-4-1-5(7)8-3-4/h4H,1-3H2 |
| InChIKey | BJBZTRRPEUMKHZ-UHFFFAOYSA-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 | B14gkd0IZeA |
|---|---|
| Name | 2(3H)Furanone, dihydro-4-iodomethyl- |
| 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/c6-2-4-1-5(7)8-3-4/h4H,1-3H2 |
| InChIKey | BJBZTRRPEUMKHZ-UHFFFAOYSA-N |
| Molecular Weight | 226.013 g/mol |
| SMILES | C1(OCC(C1)CI)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974669 |