| SpectraBase Compound ID | HZthYl2PvwN |
|---|---|
| InChI | InChI=1S/C21H14O2/c1-13-7-2-3-8-14(13)15-11-6-12-18-19(15)21(23)17-10-5-4-9-16(17)20(18)22/h2-12H,1H3 |
| InChIKey | HQFYEFYEKUSUAT-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C21H14O2 |
| Exact Mass | 298.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wvlJDOLccC |
|---|---|
| Name | 9,10-Anthracenedione, 1-(2-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.099379689 u |
| Formula | C21H14O2 |
| InChI | InChI=1S/C21H14O2/c1-13-7-2-3-8-14(13)15-11-6-12-18-19(15)21(23)17-10-5-4-9-16(17)20(18)22/h2-12H,1H3 |
| InChIKey | HQFYEFYEKUSUAT-UHFFFAOYSA-N |
| SMILES | C=12C(C=3C=CC=CC3C(C2=CC=CC1C=1C(C)=CC=CC1)=O)=O |