| SpectraBase Compound ID | 8sUV4lRwjw9 |
|---|---|
| InChI | InChI=1S/C14H9FN4O/c1-20-14-11(7-17)12(10(6-16)13(18)19-14)8-2-4-9(15)5-3-8/h2-5H,1H3,(H2,18,19) |
| InChIKey | KHVNYTUZWPEALR-UHFFFAOYSA-N |
| Mol Weight | 268.25 g/mol |
| Molecular Formula | C14H9FN4O |
| Exact Mass | 268.076039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YcFVPJgm2W |
|---|---|
| Name | 2-Amino-4-(4-fluorophenyl)-6-methoxy-3,5-pyridinedicarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.076039088 u |
| Formula | C14H9FN4O |
| InChI | InChI=1S/C14H9FN4O/c1-20-14-11(7-17)12(10(6-16)13(18)19-14)8-2-4-9(15)5-3-8/h2-5H,1H3,(H2,18,19) |
| InChIKey | KHVNYTUZWPEALR-UHFFFAOYSA-N |
| Molecular Weight | 268.251 g/mol |
| SMILES | C1(F)=CC=C(C=C1)C1=C(C(=NC(=C1C#N)OC)N)C#N |