| SpectraBase Compound ID | 262pyhVyRFy |
|---|---|
| InChI | InChI=1S/C18H13NO3/c19-16-15(14(20)10-11-6-2-1-3-7-11)17(21)12-8-4-5-9-13(12)18(16)22/h1-9H,10,19H2 |
| InChIKey | BRKPMODGPAYIGC-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 | AX04SjDpnHA |
|---|---|
| Name | 2-Amino-3-(1-oxo-2-phenylethyl)naphthalene-1,4-dione |
| 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/c19-16-15(14(20)10-11-6-2-1-3-7-11)17(21)12-8-4-5-9-13(12)18(16)22/h1-9H,10,19H2 |
| InChIKey | BRKPMODGPAYIGC-UHFFFAOYSA-N |
| SMILES | C1(C(=C(C(C=2C=CC=CC12)=O)C(=O)CC=1C=CC=CC1)N)=O |