| SpectraBase Compound ID | 5FvdKCqCxWG |
|---|---|
| InChI | InChI=1S/C10H10F7IO2/c11-8(12,9(13,14)10(15,16)17)7(19)20-6-4-2-1-3-5(6)18/h5-6H,1-4H2/t5-,6-/m1/s1 |
| InChIKey | LMWZZICYUKWLPE-PHDIDXHHSA-N |
| Mol Weight | 422.08 g/mol |
| Molecular Formula | C10H10F7IO2 |
| Exact Mass | 421.961372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqfqRKUO5A6 |
|---|---|
| Name | Trans-2-iodocyclohexyl heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.961371701 u |
| Formula | C10H10F7IO2 |
| InChI | InChI=1S/C10H10F7IO2/c11-8(12,9(13,14)10(15,16)17)7(19)20-6-4-2-1-3-5(6)18/h5-6H,1-4H2/t5-,6-/m1/s1 |
| InChIKey | LMWZZICYUKWLPE-PHDIDXHHSA-N |
| Molecular Weight | 422.081 g/mol |
| SMILES | C(C(C(O[C@]1([C@](I)(CCCC1)[H])[H])=O)(F)F)(C(F)(F)F)(F)F |