![2-[p-(2-Amino-4-pyrimidinyl)phenoxy]-6-chlorobenzonitrile](/api/spectrum/7mg32XBGUdu/structure.png?h=300&w=458 "2-[p-(2-Amino-4-pyrimidinyl)phenoxy]-6-chlorobenzonitrile")
| SpectraBase Compound ID | 4DuPgGCd307 |
|---|---|
| InChI | InChI=1S/C17H11ClN4O/c18-14-2-1-3-16(13(14)10-19)23-12-6-4-11(5-7-12)15-8-9-21-17(20)22-15/h1-9H,(H2,20,21,22) |
| InChIKey | RAKXIQYAMQHBCI-UHFFFAOYSA-N |
| Mol Weight | 322.76 g/mol |
| Molecular Formula | C17H11ClN4O |
| Exact Mass | 322.062139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mg32XBGUdu |
|---|---|
| Name | 2-[p-(2-Amino-4-pyrimidinyl)phenoxy]-6-chlorobenzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.062138689 u |
| Formula | C17H11ClN4O |
| InChI | InChI=1S/C17H11ClN4O/c18-14-2-1-3-16(13(14)10-19)23-12-6-4-11(5-7-12)15-8-9-21-17(20)22-15/h1-9H,(H2,20,21,22) |
| InChIKey | RAKXIQYAMQHBCI-UHFFFAOYSA-N |
| Molecular Weight | 322.755 g/mol |
| SMILES | NC1=NC=CC(C=2C=CC(=CC2)OC2=CC=CC(=C2C#N)Cl)=N1 |