| SpectraBase Compound ID | Eai4Ytu8V5G |
|---|---|
| InChI | InChI=1S/C8H9IO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3 |
| InChIKey | UIGQMEPFSWIPHM-UHFFFAOYSA-N |
| Mol Weight | 248.06 g/mol |
| Molecular Formula | C8H9IO |
| Exact Mass | 247.96981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aE2F6qBWW1 |
|---|---|
| Name | Phenetole, m-iodo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.969809909 u |
| Formula | C8H9IO |
| InChI | InChI=1S/C8H9IO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3 |
| InChIKey | UIGQMEPFSWIPHM-UHFFFAOYSA-N |
| Molecular Weight | 248.063 g/mol |
| SMILES | C(OC1=CC(I)=CC=C1)C |