| SpectraBase Compound ID | JxgCEwjgax0 |
|---|---|
| InChI | InChI=1S/C17H10O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-10H |
| InChIKey | CASWDWHEUUBQQN-UHFFFAOYSA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C17H10O3 |
| Exact Mass | 262.062994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXFTmBkSIMx |
|---|---|
| Name | 2-Benzoyl-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.062994179 u |
| Formula | C17H10O3 |
| InChI | InChI=1S/C17H10O3/c18-15-10-14(16(19)11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)15/h1-10H |
| InChIKey | CASWDWHEUUBQQN-UHFFFAOYSA-N |
| Molecular Weight | 262.264 g/mol |
| SMILES | C1(C(=CC(C=2C=CC=CC12)=O)C(C=1C=CC=CC1)=O)=O |