| SpectraBase Compound ID | 4ecXiyfS53J |
|---|---|
| InChI | InChI=1S/C21H18O/c1-14(22)4-2-5-15-8-9-18-11-10-16-6-3-7-17-12-13-19(15)21(18)20(16)17/h3,6-13H,2,4-5H2,1H3 |
| InChIKey | BJABHYXSQRGXSR-UHFFFAOYSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C21H18O |
| Exact Mass | 286.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuT4FjeGn2Y |
|---|---|
| Name | 5-(1-Pyrenyl)-2-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.135765199 u |
| Formula | C21H18O |
| InChI | InChI=1S/C21H18O/c1-14(22)4-2-5-15-8-9-18-11-10-16-6-3-7-17-12-13-19(15)21(18)20(16)17/h3,6-13H,2,4-5H2,1H3 |
| InChIKey | BJABHYXSQRGXSR-UHFFFAOYSA-N |
| Molecular Weight | 286.374 g/mol |
| SMILES | C1=2C=3C=CC=4C2C(C=CC4)=CC=C1C=CC3CCCC(=O)C |