| SpectraBase Compound ID | B8LOzKqDeSV |
|---|---|
| InChI | InChI=1S/C8H13IO3/c1-4-12-7(11)8(3,5-9)6(2)10/h4-5H2,1-3H3 |
| InChIKey | NCOOXZWDOHWAOJ-UHFFFAOYSA-N |
| Mol Weight | 284.09 g/mol |
| Molecular Formula | C8H13IO3 |
| Exact Mass | 283.990939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53Q7KQNZv02 |
|---|---|
| Name | Butanoic acid, 2-(iodomethyl)-2-methyl-3-oxo-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.990939276 u |
| Formula | C8H13IO3 |
| InChI | InChI=1S/C8H13IO3/c1-4-12-7(11)8(3,5-9)6(2)10/h4-5H2,1-3H3 |
| InChIKey | NCOOXZWDOHWAOJ-UHFFFAOYSA-N |
| Molecular Weight | 284.093 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)C)(CI)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971977 |