| SpectraBase Compound ID | K0IhdVArT9o |
|---|---|
| InChI | InChI=1S/C15H13IO2/c16-13-8-4-5-9-14(13)18-15(17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2 |
| InChIKey | XNCWQQRPZVOHDM-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 | ALTceqAQ2bs |
|---|---|
| Name | 2-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/c16-13-8-4-5-9-14(13)18-15(17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2 |
| InChIKey | XNCWQQRPZVOHDM-UHFFFAOYSA-N |
| Molecular Weight | 352.171 g/mol |
| SMILES | C1(=CC=CC=C1I)OC(=O)CCC1=CC=CC=C1 |