| SpectraBase Compound ID | 2B4kdqHsSih |
|---|---|
| InChI | InChI=1S/C12H23IO2/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h11H,3-10H2,1-2H3 |
| InChIKey | RTBLHLARLMFYBB-UHFFFAOYSA-N |
| Mol Weight | 326.22 g/mol |
| Molecular Formula | C12H23IO2 |
| Exact Mass | 326.074275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pl4NXD8fbR |
|---|---|
| Name | Ethyl 4-iododecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.074274979 u |
| Formula | C12H23IO2 |
| InChI | InChI=1S/C12H23IO2/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h11H,3-10H2,1-2H3 |
| InChIKey | RTBLHLARLMFYBB-UHFFFAOYSA-N |
| Molecular Weight | 326.218 g/mol |
| SMILES | C(=O)(CCC(I)CCCCCC)OCC |