| SpectraBase Compound ID | 309M5CV9PPY |
|---|---|
| InChI | InChI=1S/C16H12INO4/c1-20-13-7-11-12(8-14(13)21-2)18-15(22-16(11)19)9-3-5-10(17)6-4-9/h3-8H,1-2H3 |
| InChIKey | UMHOUTSJCPHSND-UHFFFAOYSA-N |
| Mol Weight | 409.18 g/mol |
| Molecular Formula | C16H12INO4 |
| Exact Mass | 408.981103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hMWja3BK4w |
|---|---|
| Name | 2-(4-Iodophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.981102866 u |
| Formula | C16H12INO4 |
| InChI | InChI=1S/C16H12INO4/c1-20-13-7-11-12(8-14(13)21-2)18-15(22-16(11)19)9-3-5-10(17)6-4-9/h3-8H,1-2H3 |
| InChIKey | UMHOUTSJCPHSND-UHFFFAOYSA-N |
| Molecular Weight | 409.179 g/mol |
| SMILES | C=12C(OC(=NC2=CC(=C(C1)OC)OC)C1=CC=C(C=C1)I)=O |