![3,3-Dimethyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione](/api/spectrum/CfgdfPJuYut/structure.png?h=300&w=458 "3,3-Dimethyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione")
| SpectraBase Compound ID | FD1kgzI7EVU |
|---|---|
| InChI | InChI=1S/C20H16O3/c1-20(2)9-11-7-8-14-17(16(11)15(21)10-20)19(23)13-6-4-3-5-12(13)18(14)22/h3-8H,9-10H2,1-2H3 |
| InChIKey | XQPJJQFTFIUNAA-UHFFFAOYSA-N |
| Mol Weight | 304.35 g/mol |
| Molecular Formula | C20H16O3 |
| Exact Mass | 304.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CfgdfPJuYut |
|---|---|
| Name | 3,3-Dimethyl-2,4-dihydrobenzo[A]anthracene-1,7,12-trione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.109944372 u |
| Formula | C20H16O3 |
| InChI | InChI=1S/C20H16O3/c1-20(2)9-11-7-8-14-17(16(11)15(21)10-20)19(23)13-6-4-3-5-12(13)18(14)22/h3-8H,9-10H2,1-2H3 |
| InChIKey | XQPJJQFTFIUNAA-UHFFFAOYSA-N |
| SMILES | C=12C(C=3C=CC=CC3C(C2=CC=C2C1C(CC(C2)(C)C)=O)=O)=O |