![N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-iodo-benzamide](/api/spectrum/Fc2m909NW/structure.png?h=300&w=458 "N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-iodo-benzamide")
| SpectraBase Compound ID | ClQL9PCYAZx |
|---|---|
| InChI | InChI=1S/C17H18INO3/c1-21-15-8-3-12(11-16(15)22-2)9-10-19-17(20)13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,19,20) |
| InChIKey | CCZALEGTCDPXPM-UHFFFAOYSA-N |
| Mol Weight | 411.24 g/mol |
| Molecular Formula | C17H18INO3 |
| Exact Mass | 411.033138 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fc2m909NW |
|---|---|
| Name | N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-iodo-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.033138441 u |
| Formula | C17H18INO3 |
| InChI | InChI=1S/C17H18INO3/c1-21-15-8-3-12(11-16(15)22-2)9-10-19-17(20)13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,19,20) |
| InChIKey | CCZALEGTCDPXPM-UHFFFAOYSA-N |
| Molecular Weight | 411.239 g/mol |
| SMILES | C1(=C(C=C(C=C1)CCNC(C1=CC=C(I)C=C1)=O)OC)OC |