![3,9-Dimethylbenz[A]anthracene](/api/spectrum/2mnPog7C6hP/structure.png?h=300&w=458 "3,9-Dimethylbenz[A]anthracene")
| SpectraBase Compound ID | H0cKWrcy6UF |
|---|---|
| InChI | InChI=1S/C20H16/c1-13-3-5-15-12-20-17(11-18(15)10-13)7-6-16-9-14(2)4-8-19(16)20/h3-12H,1-2H3 |
| InChIKey | DBPDWIZRMPUWRH-UHFFFAOYSA-N |
| Mol Weight | 256.35 g/mol |
| Molecular Formula | C20H16 |
| Exact Mass | 256.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mnPog7C6hP |
|---|---|
| Name | 3,9-Dimethylbenz[A]anthracene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.125200515 u |
| Formula | C20H16 |
| InChI | InChI=1S/C20H16/c1-13-3-5-15-12-20-17(11-18(15)10-13)7-6-16-9-14(2)4-8-19(16)20/h3-12H,1-2H3 |
| InChIKey | DBPDWIZRMPUWRH-UHFFFAOYSA-N |
| Molecular Weight | 256.348 g/mol |
| SMILES | C1=2C(=CC=C(C2)C)C=C2C(=C1)C=CC1=C2C=CC(=C1)C |