![3-[(3-Chloroanilino)methylene]pentane-2,4-dione](/api/spectrum/JgAy4BIC8ns/structure.png?h=300&w=458 "3-[(3-Chloroanilino)methylene]pentane-2,4-dione")
| SpectraBase Compound ID | AiyII0FVCVT |
|---|---|
| InChI | InChI=1S/C12H12ClNO2/c1-8(15)12(9(2)16)7-14-11-5-3-4-10(13)6-11/h3-7,14H,1-2H3 |
| InChIKey | WJSMFNQKVPIDAU-UHFFFAOYSA-N |
| Mol Weight | 237.69 g/mol |
| Molecular Formula | C12H12ClNO2 |
| Exact Mass | 237.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgAy4BIC8ns |
|---|---|
| Name | 3-[(3-Chloroanilino)methylene]pentane-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.055656328 u |
| Formula | C12H12ClNO2 |
| InChI | InChI=1S/C12H12ClNO2/c1-8(15)12(9(2)16)7-14-11-5-3-4-10(13)6-11/h3-7,14H,1-2H3 |
| InChIKey | WJSMFNQKVPIDAU-UHFFFAOYSA-N |
| Molecular Weight | 237.686 g/mol |
| SMILES | C(=CNC=1C=C(Cl)C=CC1)(C(=O)C)C(=O)C |