| SpectraBase Compound ID | IMruSi3800T |
|---|---|
| InChI | InChI=1S/C20H35IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9- |
| InChIKey | MUKKTNFOXFDXNO-HZJYTTRNSA-N |
| Mol Weight | 434.4 g/mol |
| Molecular Formula | C20H35IO2 |
| Exact Mass | 434.168175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIdqqRukeTo |
|---|---|
| Name | 2-Iodoethyl linoleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.168175365 u |
| Formula | C20H35IO2 |
| InChI | InChI=1S/C20H35IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9- |
| InChIKey | MUKKTNFOXFDXNO-HZJYTTRNSA-N |
| Molecular Weight | 434.402 g/mol |
| SMILES | C(=O)(OCCI)CCCCCCC\C=C/C\C=C/CCCCC |