![2-Chloro-3-[(2-phenylethyl)amino]naphthoquinone](/api/spectrum/A4f4xk5q8Cq/structure.png?h=300&w=458 "2-Chloro-3-[(2-phenylethyl)amino]naphthoquinone")
| SpectraBase Compound ID | FVq7lutnakY |
|---|---|
| InChI | InChI=1S/C18H14ClNO2/c19-15-16(20-11-10-12-6-2-1-3-7-12)18(22)14-9-5-4-8-13(14)17(15)21/h1-9,20H,10-11H2 |
| InChIKey | PNCKVMGGVODNEF-UHFFFAOYSA-N |
| Mol Weight | 311.77 g/mol |
| Molecular Formula | C18H14ClNO2 |
| Exact Mass | 311.071306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4f4xk5q8Cq |
|---|---|
| Name | 2-Chloro-3-[(2-phenylethyl)amino]naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.071306393 u |
| Formula | C18H14ClNO2 |
| InChI | InChI=1S/C18H14ClNO2/c19-15-16(20-11-10-12-6-2-1-3-7-12)18(22)14-9-5-4-8-13(14)17(15)21/h1-9,20H,10-11H2 |
| InChIKey | PNCKVMGGVODNEF-UHFFFAOYSA-N |
| Molecular Weight | 311.768 g/mol |
| SMILES | C1(Cl)=C(C(=O)C2=C(C1=O)C=CC=C2)NCCC1=CC=CC=C1 |