![Benz[a]aceanthrylene](/api/spectrum/CdzumRkbG1P/structure.png?h=300&w=458 "Benz[a]aceanthrylene")
| SpectraBase Compound ID | E4tu7g8ju4V |
|---|---|
| InChI | InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H |
| InChIKey | OQDXASJSCOTNQS-UHFFFAOYSA-N |
| Mol Weight | 252.32 g/mol |
| Molecular Formula | C20H12 |
| Exact Mass | 252.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdzumRkbG1P |
|---|---|
| Name | Benz[A]aceanthrylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.093900386 u |
| Formula | C20H12 |
| InChI | InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H |
| InChIKey | OQDXASJSCOTNQS-UHFFFAOYSA-N |
| Molecular Weight | 252.316 g/mol |
| SMILES | C12=C3C(=CC=CC3=CC=3C1=CC=CC3)C=1C2=CC=CC1 |