| SpectraBase Compound ID | 8ebAdSgDCOH |
|---|---|
| InChI | InChI=1S/C11H6F7IO2/c12-9(13,10(14,15)11(16,17)18)8(20)21-5-6-3-1-2-4-7(6)19/h1-4H,5H2 |
| InChIKey | MKRZMUFPTGHQTG-UHFFFAOYSA-N |
| Mol Weight | 430.06 g/mol |
| Molecular Formula | C11H6F7IO2 |
| Exact Mass | 429.930072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39bpwYlXjrm |
|---|---|
| Name | 2-Iodobenzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.930071572 u |
| Formula | C11H6F7IO2 |
| InChI | InChI=1S/C11H6F7IO2/c12-9(13,10(14,15)11(16,17)18)8(20)21-5-6-3-1-2-4-7(6)19/h1-4H,5H2 |
| InChIKey | MKRZMUFPTGHQTG-UHFFFAOYSA-N |
| Molecular Weight | 430.060 g/mol |
| SMILES | C1(=C(C=CC=C1)I)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |