![3-pyridinecarboxamide, N-[4-(4-chlorophenoxy)phenyl]-](/api/spectrum/Bx7eMnTk2tc/structure.png?h=300&w=458 "3-pyridinecarboxamide, N-[4-(4-chlorophenoxy)phenyl]-")
| SpectraBase Compound ID | FRNYVb4Ne8Y |
|---|---|
| InChI | InChI=1S/C18H13ClN2O2/c19-14-3-7-16(8-4-14)23-17-9-5-15(6-10-17)21-18(22)13-2-1-11-20-12-13/h1-12H,(H,21,22) |
| InChIKey | FAFONBUZPJZYBQ-UHFFFAOYSA-N |
| Mol Weight | 324.77 g/mol |
| Molecular Formula | C18H13ClN2O2 |
| Exact Mass | 324.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bx7eMnTk2tc |
|---|---|
| Name | 3-Pyridinecarboxamide, N-[4-(4-chlorophenoxy)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.066555365 u |
| Formula | C18H13ClN2O2 |
| InChI | InChI=1S/C18H13ClN2O2/c19-14-3-7-16(8-4-14)23-17-9-5-15(6-10-17)21-18(22)13-2-1-11-20-12-13/h1-12H,(H,21,22) |
| InChIKey | FAFONBUZPJZYBQ-UHFFFAOYSA-N |
| Molecular Weight | 324.767 g/mol |
| SMILES | N(C(C=1C=NC=CC1)=O)C1=CC=C(OC2=CC=C(C=C2)Cl)C=C1 |