| SpectraBase Compound ID | LxEbO6ZPNrd |
|---|---|
| InChI | InChI=1S/C17H12INO4/c1-22-13-6-7-15-10(8-13)9-14(17(21)23-15)16(20)19-12-4-2-11(18)3-5-12/h2-9H,1H3,(H,19,20) |
| InChIKey | NCWREBNEGUVEOB-UHFFFAOYSA-N |
| Mol Weight | 421.19 g/mol |
| Molecular Formula | C17H12INO4 |
| Exact Mass | 420.981103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRDbZijrYVj |
|---|---|
| Name | Coumarin-3-carboxamide, 6-methoxy-N-(4-iodophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.981102866 u |
| Formula | C17H12INO4 |
| InChI | InChI=1S/C17H12INO4/c1-22-13-6-7-15-10(8-13)9-14(17(21)23-15)16(20)19-12-4-2-11(18)3-5-12/h2-9H,1H3,(H,19,20) |
| InChIKey | NCWREBNEGUVEOB-UHFFFAOYSA-N |
| Molecular Weight | 421.190 g/mol |
| SMILES | C=1(C(OC=2C(C1)=CC(OC)=CC2)=O)C(NC=1C=CC(=CC1)I)=O |