| SpectraBase Compound ID | 7oBGXRA4NME |
|---|---|
| InChI | InChI=1S/C8H15IO3/c1-7(10)12-5-3-4-8(9)6-11-2/h8H,3-6H2,1-2H3 |
| InChIKey | DWEJHBXKWXFAGD-UHFFFAOYSA-N |
| Mol Weight | 286.11 g/mol |
| Molecular Formula | C8H15IO3 |
| Exact Mass | 286.006589 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4GInmkJPeAs |
|---|---|
| Name | (4-Iodanyl-5-methoxy-pentyl) ethanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.006589340 u |
| Formula | C8H15IO3 |
| InChI | InChI=1S/C8H15IO3/c1-7(10)12-5-3-4-8(9)6-11-2/h8H,3-6H2,1-2H3 |
| InChIKey | DWEJHBXKWXFAGD-UHFFFAOYSA-N |
| Molecular Weight | 286.109 g/mol |
| SMILES | C(=O)(OCCCC(I)COC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877532 |