![2-[(Acetyloxy)methyl]-4-iodobutyl acetate](/api/spectrum/5cbWt7QFlgy/structure.png?h=300&w=458 "2-[(Acetyloxy)methyl]-4-iodobutyl acetate")
| SpectraBase Compound ID | 4Eww3uyTOHZ |
|---|---|
| InChI | InChI=1S/C9H15IO4/c1-7(11)13-5-9(3-4-10)6-14-8(2)12/h9H,3-6H2,1-2H3 |
| InChIKey | BBRUXHDMYDKKTH-UHFFFAOYSA-N |
| Mol Weight | 314.12 g/mol |
| Molecular Formula | C9H15IO4 |
| Exact Mass | 314.001504 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5cbWt7QFlgy |
|---|---|
| Name | 2-[(Acetyloxy)methyl]-4-iodobutyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.001503959 u |
| Formula | C9H15IO4 |
| InChI | InChI=1S/C9H15IO4/c1-7(11)13-5-9(3-4-10)6-14-8(2)12/h9H,3-6H2,1-2H3 |
| InChIKey | BBRUXHDMYDKKTH-UHFFFAOYSA-N |
| Molecular Weight | 314.119 g/mol |
| SMILES | C(=O)(OCC(COC(=O)C)CCI)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913011 |