![2(1H)-Pyridinone, 1-[(3-chlorophenyl)methyl]-3-nitro-](/api/spectrum/CDal8GAJpFH/structure.png?h=300&w=458 "2(1H)-Pyridinone, 1-[(3-chlorophenyl)methyl]-3-nitro-")
| SpectraBase Compound ID | AI00C8JaEtb |
|---|---|
| InChI | InChI=1S/C12H9ClN2O3/c13-10-4-1-3-9(7-10)8-14-6-2-5-11(12(14)16)15(17)18/h1-7H,8H2 |
| InChIKey | XONHIUOTCAGQSE-UHFFFAOYSA-N |
| Mol Weight | 264.67 g/mol |
| Molecular Formula | C12H9ClN2O3 |
| Exact Mass | 264.03017 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDal8GAJpFH |
|---|---|
| Name | 2(1H)-Pyridinone, 1-[(3-chlorophenyl)methyl]-3-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.030169855 u |
| Formula | C12H9ClN2O3 |
| InChI | InChI=1S/C12H9ClN2O3/c13-10-4-1-3-9(7-10)8-14-6-2-5-11(12(14)16)15(17)18/h1-7H,8H2 |
| InChIKey | XONHIUOTCAGQSE-UHFFFAOYSA-N |
| Molecular Weight | 264.668 g/mol |
| SMILES | C=1C=C(N(=O)=O)C(N(C1)CC1=CC(=CC=C1)Cl)=O |