![(Z)-4-Methyl-[6-iodomethylidene]furan-2(5H)-one](/api/spectrum/IPKt8JLo1Z1/structure.png?h=300&w=458 "(Z)-4-Methyl-[6-iodomethylidene]furan-2(5H)-one")
| SpectraBase Compound ID | KNJKLYDzhZP |
|---|---|
| InChI | InChI=1S/C6H5IO2/c1-4-2-6(8)9-5(4)3-7/h2-3H,1H3/b5-3- |
| InChIKey | NYDJUGIGQJSVGN-HYXAFXHYSA-N |
| Mol Weight | 236.01 g/mol |
| Molecular Formula | C6H5IO2 |
| Exact Mass | 235.933424 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IPKt8JLo1Z1 |
|---|---|
| Name | (Z)-4-Methyl-[6-iodomethylidene]furan-2(5H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.933424399 u |
| Formula | C6H5IO2 |
| InChI | InChI=1S/C6H5IO2/c1-4-2-6(8)9-5(4)3-7/h2-3H,1H3/b5-3- |
| InChIKey | NYDJUGIGQJSVGN-HYXAFXHYSA-N |
| Molecular Weight | 236.008 g/mol |
| SMILES | C1(O\C(C(=C1)C)=C\I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906708 |