| SpectraBase Compound ID | FwKiNGwSlUk |
|---|---|
| InChI | InChI=1S/C16H29IO/c1-14(13-17)12-15-10-8-6-4-2-3-5-7-9-11-16(15)18/h14-15H,2-13H2,1H3 |
| InChIKey | WPHIOTMXCJLUMP-UHFFFAOYSA-N |
| Mol Weight | 364.31 g/mol |
| Molecular Formula | C16H29IO |
| Exact Mass | 364.126311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33ggRDG09ZZ |
|---|---|
| Name | 1-(3'-Iodo-2'-methylpropyl)cyclododecanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.126310553 u |
| Formula | C16H29IO |
| InChI | InChI=1S/C16H29IO/c1-14(13-17)12-15-10-8-6-4-2-3-5-7-9-11-16(15)18/h14-15H,2-13H2,1H3 |
| InChIKey | WPHIOTMXCJLUMP-UHFFFAOYSA-N |
| Molecular Weight | 364.311 g/mol |
| SMILES | C1(C(CC(CI)C)CCCCCCCCCC1)=O |