![2-[(4-Hydroxy-3-methylphenyl)amino]-1,4-dihydronaphthalene-1,4-dione](/api/spectrum/LGwrh0Psdtt/structure.png?h=300&w=458 "2-[(4-Hydroxy-3-methylphenyl)amino]-1,4-dihydronaphthalene-1,4-dione")
| SpectraBase Compound ID | 8VoxjCL1w2K |
|---|---|
| InChI | InChI=1S/C17H13NO3/c1-10-8-11(6-7-15(10)19)18-14-9-16(20)12-4-2-3-5-13(12)17(14)21/h2-9,18-19H,1H3 |
| InChIKey | BEQSYBINXMSJAQ-UHFFFAOYSA-N |
| Mol Weight | 279.29 g/mol |
| Molecular Formula | C17H13NO3 |
| Exact Mass | 279.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGwrh0Psdtt |
|---|---|
| Name | 2-[(4-Hydroxy-3-methylphenyl)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 | 279.089543280 u |
| Formula | C17H13NO3 |
| InChI | InChI=1S/C17H13NO3/c1-10-8-11(6-7-15(10)19)18-14-9-16(20)12-4-2-3-5-13(12)17(14)21/h2-9,18-19H,1H3 |
| InChIKey | BEQSYBINXMSJAQ-UHFFFAOYSA-N |
| Molecular Weight | 279.295 g/mol |
| SMILES | C1(C2=C(C=CC=C2)C(C(=C1)NC=1C=CC(=C(C1)C)O)=O)=O |