![2-Chloro-3-[(4-fluorophenyl)amino]-1,4-dihydronaphthalene-1,4-dione](/api/spectrum/9fWSfOwXdnE/structure.png?h=300&w=458 "2-Chloro-3-[(4-fluorophenyl)amino]-1,4-dihydronaphthalene-1,4-dione")
| SpectraBase Compound ID | 9z6cakMIaP9 |
|---|---|
| InChI | InChI=1S/C16H9ClFNO2/c17-13-14(19-10-7-5-9(18)6-8-10)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,19H |
| InChIKey | RUXCQXYRMAOHGI-UHFFFAOYSA-N |
| Mol Weight | 301.7 g/mol |
| Molecular Formula | C16H9ClFNO2 |
| Exact Mass | 301.030584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9fWSfOwXdnE |
|---|---|
| Name | 2-Chloro-3-[(4-fluorophenyl)amino]-1,4-dihydronaphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.030584395 u |
| Formula | C16H9ClFNO2 |
| InChI | InChI=1S/C16H9ClFNO2/c17-13-14(19-10-7-5-9(18)6-8-10)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,19H |
| InChIKey | RUXCQXYRMAOHGI-UHFFFAOYSA-N |
| Molecular Weight | 301.704 g/mol |
| SMILES | C1(C2=C(C=CC=C2)C(C(=C1Cl)NC=1C=CC(=CC1)F)=O)=O |