![4-[(p-Chloroanilino)methylene]-3-phenyl-2-isoxazolin-5-one](/api/spectrum/HeZslhBFjH/structure.png?h=300&w=458 "4-[(p-Chloroanilino)methylene]-3-phenyl-2-isoxazolin-5-one")
| SpectraBase Compound ID | G9qJB3fNv84 |
|---|---|
| InChI | InChI=1S/C16H11ClN2O2/c17-12-6-8-13(9-7-12)18-10-14-15(19-21-16(14)20)11-4-2-1-3-5-11/h1-10,18H |
| InChIKey | YTHOKWNSDCDTRB-UHFFFAOYSA-N |
| Mol Weight | 298.73 g/mol |
| Molecular Formula | C16H11ClN2O2 |
| Exact Mass | 298.050905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HeZslhBFjH |
|---|---|
| Name | 4-[(p-Chloroanilino)methylene]-3-phenyl-2-isoxazolin-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.050905300 u |
| Formula | C16H11ClN2O2 |
| InChI | InChI=1S/C16H11ClN2O2/c17-12-6-8-13(9-7-12)18-10-14-15(19-21-16(14)20)11-4-2-1-3-5-11/h1-10,18H |
| InChIKey | YTHOKWNSDCDTRB-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1)Cl)C=C1C(=NOC1=O)C=1C=CC=CC1 |