| SpectraBase Compound ID | GfrpYTLtRyw |
|---|---|
| InChI | InChI=1S/C25H16O/c26-23(16-9-17-5-2-1-3-6-17)21-14-12-20-11-10-18-7-4-8-19-13-15-22(21)25(20)24(18)19/h1-16H |
| InChIKey | NOYBSAZWUGRHFY-UHFFFAOYSA-N |
| Mol Weight | 332.4 g/mol |
| Molecular Formula | C25H16O |
| Exact Mass | 332.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1od3Kh0MVK |
|---|---|
| Name | 3-Phenyl-1-(3-pyrenyl)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.120115134 u |
| Formula | C25H16O |
| InChI | InChI=1S/C25H16O/c26-23(16-9-17-5-2-1-3-6-17)21-14-12-20-11-10-18-7-4-8-19-13-15-22(21)25(20)24(18)19/h1-16H |
| InChIKey | NOYBSAZWUGRHFY-UHFFFAOYSA-N |
| Molecular Weight | 332.402 g/mol |
| SMILES | C12=C3C=CC=C2C=CC=2C=CC(=C(C=C3)C12)C(C=CC=1C=CC=CC1)=O |