| SpectraBase Compound ID | 8cug3nU5imi |
|---|---|
| InChI | InChI=1S/C10H7ClIN3O/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15) |
| InChIKey | NDWDLGWNUSBCJO-UHFFFAOYSA-N |
| Mol Weight | 347.54 g/mol |
| Molecular Formula | C10H7ClIN3O |
| Exact Mass | 346.932235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73aUoCQKlF8 |
|---|---|
| Name | 2-Amino-4-chloro-6-(4-iodophenoxy)pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.932234556 u |
| Formula | C10H7ClIN3O |
| InChI | InChI=1S/C10H7ClIN3O/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15) |
| InChIKey | NDWDLGWNUSBCJO-UHFFFAOYSA-N |
| Molecular Weight | 347.543 g/mol |
| SMILES | C1=CC(=CC=C1I)OC1=NC(=NC(Cl)=C1)N |