| SpectraBase Compound ID | KQXeWr4I4dj |
|---|---|
| InChI | InChI=1S/C9H6F3IO2/c10-9(11,12)8(14)15-5-6-1-3-7(13)4-2-6/h1-4H,5H2 |
| InChIKey | MGHWQMIKCTWZEC-UHFFFAOYSA-N |
| Mol Weight | 330.04 g/mol |
| Molecular Formula | C9H6F3IO2 |
| Exact Mass | 329.936459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7PGRNZCpGN0 |
|---|---|
| Name | 4-Iodobenzyl alcohol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.936458920 u |
| Formula | C9H6F3IO2 |
| InChI | InChI=1S/C9H6F3IO2/c10-9(11,12)8(14)15-5-6-1-3-7(13)4-2-6/h1-4H,5H2 |
| InChIKey | MGHWQMIKCTWZEC-UHFFFAOYSA-N |
| Molecular Weight | 330.045 g/mol |
| SMILES | C1(=CC=C(C=C1)I)COC(C(F)(F)F)=O |