![Benz[a]anthracene-7,12-dione, 8-methyl-](/api/spectrum/DdYCqEZfcR/structure.png?h=300&w=458 "Benz[a]anthracene-7,12-dione, 8-methyl-")
| SpectraBase Compound ID | 5zftEFlhasX |
|---|---|
| InChI | InChI=1S/C19H12O2/c1-11-5-4-8-14-16(11)18(20)15-10-9-12-6-2-3-7-13(12)17(15)19(14)21/h2-10H,1H3 |
| InChIKey | NXJXKDJVQJCMBM-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C19H12O2 |
| Exact Mass | 272.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdYCqEZfcR |
|---|---|
| Name | Benz[A]anthracene-7,12-dione, 8-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.083729624 u |
| Formula | C19H12O2 |
| InChI | InChI=1S/C19H12O2/c1-11-5-4-8-14-16(11)18(20)15-10-9-12-6-2-3-7-13(12)17(15)19(14)21/h2-10H,1H3 |
| InChIKey | NXJXKDJVQJCMBM-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C=CC=3C2=CC=CC3)C(C2=C1C=CC=C2C)=O)=O |