| SpectraBase Compound ID | BVwd37h8FsU |
|---|---|
| InChI | InChI=1S/C13H14I2O2/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h1-2,5-6,11-12H,3-4,7-8H2 |
| InChIKey | CPXBQUZUSNTKEZ-UHFFFAOYSA-N |
| Mol Weight | 456.06 g/mol |
| Molecular Formula | C13H14I2O2 |
| Exact Mass | 455.90832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BE7IbazU4uK |
|---|---|
| Name | 2-Iodocyclohexyl-2-iodobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 455.908319689 u |
| Formula | C13H14I2O2 |
| InChI | InChI=1S/C13H14I2O2/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h1-2,5-6,11-12H,3-4,7-8H2 |
| InChIKey | CPXBQUZUSNTKEZ-UHFFFAOYSA-N |
| Molecular Weight | 456.062 g/mol |
| SMILES | C(C=1C(=CC=CC1)I)(=O)OC1C(CCCC1)I |