![13H-benzo[hi]chrysen-13-one](/api/spectrum/8EbT64iFoie/structure.png?h=300&w=458 "13H-benzo[hi]chrysen-13-one")
| SpectraBase Compound ID | CyIzqPvr5al |
|---|---|
| InChI | InChI=1S/C21H12O/c22-21-18-10-4-7-14-6-3-9-16(19(14)18)17-12-11-13-5-1-2-8-15(13)20(17)21/h1-12H |
| InChIKey | TZWFTLUWVSVWJE-UHFFFAOYSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C21H12O |
| Exact Mass | 280.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EbT64iFoie |
|---|---|
| Name | 13H-Benzo[hi]chrysen-13-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.088815005 u |
| Formula | C21H12O |
| InChI | InChI=1S/C21H12O/c22-21-18-10-4-7-14-6-3-9-16(19(14)18)17-12-11-13-5-1-2-8-15(13)20(17)21/h1-12H |
| InChIKey | TZWFTLUWVSVWJE-UHFFFAOYSA-N |
| Molecular Weight | 280.326 g/mol |
| SMILES | C1(C=2C(=CC=C3C2C=CC=C3)C=2C3=C1C=CC=C3C=CC2)=O |