| SpectraBase Compound ID | 8prfEhn5Iia |
|---|---|
| InChI | InChI=1S/C18H13NO3/c1-11(20)12-6-8-13(9-7-12)19-16-10-17(21)14-4-2-3-5-15(14)18(16)22/h2-10,19H,1H3 |
| InChIKey | NDDIJIVOPGSZDI-UHFFFAOYSA-N |
| Mol Weight | 291.31 g/mol |
| Molecular Formula | C18H13NO3 |
| Exact Mass | 291.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11qJ6RKkSp6 |
|---|---|
| Name | 2-(4-Acetylphenylamino)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.089543280 u |
| Formula | C18H13NO3 |
| InChI | InChI=1S/C18H13NO3/c1-11(20)12-6-8-13(9-7-12)19-16-10-17(21)14-4-2-3-5-15(14)18(16)22/h2-10,19H,1H3 |
| InChIKey | NDDIJIVOPGSZDI-UHFFFAOYSA-N |
| SMILES | C12=C(C=CC=C2)C(C(=CC1=O)NC1=CC=C(C=C1)C(C)=O)=O |