| SpectraBase Compound ID | IAsrQudxfGb |
|---|---|
| InChI | InChI=1S/C11H19IO3/c12-9-10-5-2-1-3-7-14-8-4-6-11(13)15-10/h10H,1-9H2 |
| InChIKey | NVNRRUGMMAGGCB-UHFFFAOYSA-N |
| Mol Weight | 326.17 g/mol |
| Molecular Formula | C11H19IO3 |
| Exact Mass | 326.037889 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4k28q5Lx5cD |
|---|---|
| Name | 12-(Iodanylmethyl)-1,6-dioxacyclododecan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.037889469 u |
| Formula | C11H19IO3 |
| InChI | InChI=1S/C11H19IO3/c12-9-10-5-2-1-3-7-14-8-4-6-11(13)15-10/h10H,1-9H2 |
| InChIKey | NVNRRUGMMAGGCB-UHFFFAOYSA-N |
| Molecular Weight | 326.174 g/mol |
| SMILES | C1(OC(CCCCCOCCC1)CI)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849417 |