![[(R)-and (S)]-1-Iodo-3,6-dimethylheptane](/api/spectrum/6OmE2ekJey5/structure.png?h=300&w=458 "[(R)-and (S)]-1-Iodo-3,6-dimethylheptane")
| SpectraBase Compound ID | 7oblRHkua8v |
|---|---|
| InChI | InChI=1S/C9H19I/c1-8(2)4-5-9(3)6-7-10/h8-9H,4-7H2,1-3H3 |
| InChIKey | GBESPFRIBONWOE-UHFFFAOYSA-N |
| Mol Weight | 254.16 g/mol |
| Molecular Formula | C9H19I |
| Exact Mass | 254.053146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6OmE2ekJey5 |
|---|---|
| Name | [(R)-and (S)]-1-Iodo-3,6-dimethylheptane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.053145612 u |
| Formula | C9H19I |
| InChI | InChI=1S/C9H19I/c1-8(2)4-5-9(3)6-7-10/h8-9H,4-7H2,1-3H3 |
| InChIKey | GBESPFRIBONWOE-UHFFFAOYSA-N |
| Molecular Weight | 254.155 g/mol |
| SMILES | C(I)CC(CCC(C)C)C |