| SpectraBase Compound ID | GgyGO7wbDN6 |
|---|---|
| InChI | InChI=1S/C8H15IO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3 |
| InChIKey | HTIBXQHVKAAGOQ-UHFFFAOYSA-N |
| Mol Weight | 270.11 g/mol |
| Molecular Formula | C8H15IO2 |
| Exact Mass | 270.011675 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CZsXZzomork |
|---|---|
| Name | Methyl 7-iodoheptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.011674721 u |
| Formula | C8H15IO2 |
| InChI | InChI=1S/C8H15IO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3 |
| InChIKey | HTIBXQHVKAAGOQ-UHFFFAOYSA-N |
| Molecular Weight | 270.110 g/mol |
| SMILES | C(=O)(OC)CCCCCCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898562 |