| SpectraBase Compound ID | JqYMPV5WId |
|---|---|
| InChI | InChI=1S/C10H6F5IO2/c11-9(12,10(13,14)15)8(17)18-5-6-2-1-3-7(16)4-6/h1-4H,5H2 |
| InChIKey | DEXQIAXIOOAMJR-UHFFFAOYSA-N |
| Mol Weight | 380.05 g/mol |
| Molecular Formula | C10H6F5IO2 |
| Exact Mass | 379.933265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PPpKBccGiC |
|---|---|
| Name | 3-Iodobenzyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.933265246 u |
| Formula | C10H6F5IO2 |
| InChI | InChI=1S/C10H6F5IO2/c11-9(12,10(13,14)15)8(17)18-5-6-2-1-3-7(16)4-6/h1-4H,5H2 |
| InChIKey | DEXQIAXIOOAMJR-UHFFFAOYSA-N |
| Molecular Weight | 380.052 g/mol |
| SMILES | C1(=CC(=CC=C1)I)COC(C(C(F)(F)F)(F)F)=O |