| SpectraBase Compound ID | If9xJhrDMKA |
|---|---|
| InChI | InChI=1S/C9H9IO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | VKZHEYVXPIMRCG-UHFFFAOYSA-N |
| Mol Weight | 276.07 g/mol |
| Molecular Formula | C9H9IO2 |
| Exact Mass | 275.964725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CAqEw48XjPE |
|---|---|
| Name | 4-Iodobenzyl alcohol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.964724528 u |
| Formula | C9H9IO2 |
| InChI | InChI=1S/C9H9IO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | VKZHEYVXPIMRCG-UHFFFAOYSA-N |
| Molecular Weight | 276.073 g/mol |
| SMILES | C1(=CC=C(C=C1)I)COC(C)=O |