![2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione](/api/spectrum/5c23VMS5nTg/structure.png?h=300&w=458 "2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione")
| SpectraBase Compound ID | 1MUKxrf8goj |
|---|---|
| InChI | InChI=1S/C16H9ClN2O4/c17-13-14(18-9-5-7-10(8-6-9)19(22)23)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,18H |
| InChIKey | WQJPTKXOYCBASA-UHFFFAOYSA-N |
| Mol Weight | 328.71 g/mol |
| Molecular Formula | C16H9ClN2O4 |
| Exact Mass | 328.025084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5c23VMS5nTg |
|---|---|
| Name | 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.025084474 u |
| Formula | C16H9ClN2O4 |
| InChI | InChI=1S/C16H9ClN2O4/c17-13-14(18-9-5-7-10(8-6-9)19(22)23)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,18H |
| InChIKey | WQJPTKXOYCBASA-UHFFFAOYSA-N |
| Molecular Weight | 328.711 g/mol |
| SMILES | C12=CC=CC=C2C(C(=C(C1=O)NC1=CC=C(C=C1)N(=O)=O)Cl)=O |