| SpectraBase Compound ID | 1RidLnfWRn5 |
|---|---|
| InChI | InChI=1S/C16H12O/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,10-11H,9H2 |
| InChIKey | GCRMFTYQKGCKSG-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 | H1rU5lnll3J |
|---|---|
| Name | 9-Anthrylacetaldehyde |
| 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/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,10-11H,9H2 |
| InChIKey | GCRMFTYQKGCKSG-UHFFFAOYSA-N |
| Molecular Weight | 220.271 g/mol |
| SMILES | c1ccc2c(c1)c(c1c(c2)cccc1)CC=O |