| SpectraBase Compound ID | GaXmCi0RLcJ |
|---|---|
| InChI | InChI=1S/C16H12O/c1-11(17)14-8-4-6-13-10-9-12-5-2-3-7-15(12)16(13)14/h2-10H,1H3 |
| InChIKey | NQUAUYFCIGKDFS-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C16H12O |
| Exact Mass | 220.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFbzAoa4fMG |
|---|---|
| Name | 4-Acetylphenanthrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.088815005 u |
| Formula | C16H12O |
| InChI | InChI=1S/C16H12O/c1-11(17)14-8-4-6-13-10-9-12-5-2-3-7-15(12)16(13)14/h2-10H,1H3 |
| InChIKey | NQUAUYFCIGKDFS-UHFFFAOYSA-N |
| Molecular Weight | 220.271 g/mol |
| SMILES | C1=C2C(C=CC=C2)=C2C(=C1)C=CC=C2C(C)=O |