| SpectraBase Compound ID | 3Zi0LKclXeO |
|---|---|
| InChI | InChI=1S/C15H13IO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2 |
| InChIKey | JAWYGGJMVDSHCS-UHFFFAOYSA-N |
| Mol Weight | 352.17 g/mol |
| Molecular Formula | C15H13IO2 |
| Exact Mass | 351.996025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UzbhhUE3dk |
|---|---|
| Name | 4-Iodophenyl-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.996024657 u |
| Formula | C15H13IO2 |
| InChI | InChI=1S/C15H13IO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2 |
| InChIKey | JAWYGGJMVDSHCS-UHFFFAOYSA-N |
| Molecular Weight | 352.171 g/mol |
| SMILES | C1=C(C=CC(=C1)I)OC(=O)CCC1=CC=CC=C1 |