| SpectraBase Compound ID | 6RHzXBeWhFo |
|---|---|
| InChI | InChI=1S/C20H14O/c1-13(21)19-12-20-15-7-3-2-6-14(15)10-11-18(20)16-8-4-5-9-17(16)19/h2-12H,1H3 |
| InChIKey | BBPSABLIKDZQNK-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C20H14O |
| Exact Mass | 270.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KK3Zckotu7f |
|---|---|
| Name | 6-Acetylchrysene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.104465070 u |
| Formula | C20H14O |
| InChI | InChI=1S/C20H14O/c1-13(21)19-12-20-15-7-3-2-6-14(15)10-11-18(20)16-8-4-5-9-17(16)19/h2-12H,1H3 |
| InChIKey | BBPSABLIKDZQNK-UHFFFAOYSA-N |
| Molecular Weight | 270.331 g/mol |
| SMILES | CC(=O)C=1C=2C=CC=CC2C2=C(C1)C1=C(C=CC=C1)C=C2 |