| SpectraBase Compound ID | AmyzNmSICih |
|---|---|
| InChI | InChI=1S/C7H11IO2/c1-4-10-7(9)5(2)6(3)8/h5H,3-4H2,1-2H3 |
| InChIKey | URKLRRVWSSSJOT-UHFFFAOYSA-N |
| Mol Weight | 254.07 g/mol |
| Molecular Formula | C7H11IO2 |
| Exact Mass | 253.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5c2VI1H2DrJ |
|---|---|
| Name | 3-Iodo-2-methyl-3-butenoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.980374592 u |
| Formula | C7H11IO2 |
| InChI | InChI=1S/C7H11IO2/c1-4-10-7(9)5(2)6(3)8/h5H,3-4H2,1-2H3 |
| InChIKey | URKLRRVWSSSJOT-UHFFFAOYSA-N |
| Molecular Weight | 254.067 g/mol |
| SMILES | C(C(=O)OCC)(C(=C)I)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983699 |