| SpectraBase Compound ID | 45lDaigWdk0 |
|---|---|
| InChI | InChI=1S/C17H13NO3/c19-14-8-4-7-12-16(14)15(20)9-13(17(12)21)18-10-11-5-2-1-3-6-11/h1-9,18-19H,10H2 |
| InChIKey | ZGXJYIJRVRDNDD-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 | 586C2upmYoh |
|---|---|
| Name | 2-(Benzylamino)-5-hydroxynaphthalene-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/c19-14-8-4-7-12-16(14)15(20)9-13(17(12)21)18-10-11-5-2-1-3-6-11/h1-9,18-19H,10H2 |
| InChIKey | ZGXJYIJRVRDNDD-UHFFFAOYSA-N |
| Molecular Weight | 279.295 g/mol |
| SMILES | C1=C(C(C=2C(C1=O)=C(C=CC2)O)=O)NCC1=CC=CC=C1 |