| SpectraBase Compound ID | Iwq2MdJsnOY |
|---|---|
| InChI | InChI=1S/C20H18INO/c1-2-3-8-13-22-14-17(15-9-5-7-12-19(15)22)20(23)16-10-4-6-11-18(16)21/h2,4-7,9-12,14H,1,3,8,13H2 |
| InChIKey | IOYINWFENUDXPB-UHFFFAOYSA-N |
| Mol Weight | 415.27 g/mol |
| Molecular Formula | C20H18INO |
| Exact Mass | 415.043309 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4F3lPokD0oG |
|---|---|
| Name | am-694-A (-hf) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.043309203 u |
| Formula | C20H18INO |
| InChI | InChI=1S/C20H18INO/c1-2-3-8-13-22-14-17(15-9-5-7-12-19(15)22)20(23)16-10-4-6-11-18(16)21/h2,4-7,9-12,14H,1,3,8,13H2 |
| InChIKey | IOYINWFENUDXPB-UHFFFAOYSA-N |
| Molecular Weight | 415.274 g/mol |
| SMILES | C=1(C=2C(N(C1)CCCC=C)=CC=CC2)C(C1=C(C=CC=C1)I)=O |