![4-[(3,5-Dichloroanilino)methylene]-3-methyl-2-pyrazolin-5-one](/api/spectrum/Ex2qxdChmaF/structure.png?h=300&w=458 "4-[(3,5-Dichloroanilino)methylene]-3-methyl-2-pyrazolin-5-one")
| SpectraBase Compound ID | CAKYHamHp63 |
|---|---|
| InChI | InChI=1S/C11H9Cl2N3O/c1-6-10(11(17)16-15-6)5-14-9-3-7(12)2-8(13)4-9/h2-5,14H,1H3,(H,16,17) |
| InChIKey | IGUVTDJNAMEDTF-UHFFFAOYSA-N |
| Mol Weight | 270.12 g/mol |
| Molecular Formula | C11H9Cl2N3O |
| Exact Mass | 269.012267 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ex2qxdChmaF |
|---|---|
| Name | 4-[(3,5-Dichloroanilino)methylene]-3-methyl-2-pyrazolin-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.012267321 u |
| Formula | C11H9Cl2N3O |
| InChI | InChI=1S/C11H9Cl2N3O/c1-6-10(11(17)16-15-6)5-14-9-3-7(12)2-8(13)4-9/h2-5,14H,1H3,(H,16,17) |
| InChIKey | IGUVTDJNAMEDTF-UHFFFAOYSA-N |
| Molecular Weight | 270.119 g/mol |
| SMILES | N(C1=CC(=CC(Cl)=C1)Cl)C=C1C(=O)NN=C1C |