![3-[(2-Iodophenyl)methoxy]-2-cyclohexen-1-one](/api/spectrum/5ClBcAAAKay/structure.png?h=300&w=458 "3-[(2-Iodophenyl)methoxy]-2-cyclohexen-1-one")
| SpectraBase Compound ID | QRlOY4krgz |
|---|---|
| InChI | InChI=1S/C13H13IO2/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h1-2,4,7-8H,3,5-6,9H2 |
| InChIKey | CGCWDZDOOGESJW-UHFFFAOYSA-N |
| Mol Weight | 328.15 g/mol |
| Molecular Formula | C13H13IO2 |
| Exact Mass | 327.996025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ClBcAAAKay |
|---|---|
| Name | 3-[(2-Iodophenyl)methoxy]-2-cyclohexen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.996024657 u |
| Formula | C13H13IO2 |
| InChI | InChI=1S/C13H13IO2/c14-13-7-2-1-4-10(13)9-16-12-6-3-5-11(15)8-12/h1-2,4,7-8H,3,5-6,9H2 |
| InChIKey | CGCWDZDOOGESJW-UHFFFAOYSA-N |
| Molecular Weight | 328.149 g/mol |
| SMILES | C=1C=C(C(=CC1)I)COC1=CC(CCC1)=O |