| SpectraBase Compound ID | 4t2cLcqH3AT |
|---|---|
| InChI | InChI=1S/C20H16O/c1-15(12-13-21)10-11-20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-14H,1H3/b11-10+,15-12+ |
| InChIKey | UMLAXSMUHHZXGQ-GCHFJXRNSA-N |
| Mol Weight | 272.35 g/mol |
| Molecular Formula | C20H16O |
| Exact Mass | 272.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qnhj2c4azh |
|---|---|
| Name | 2,4-Pentadienal, 5-(9-anthracenyl)-3-methyl-, (E,E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.120115134 u |
| Formula | C20H16O |
| InChI | InChI=1S/C20H16O/c1-15(12-13-21)10-11-20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-14H,1H3/b11-10+,15-12+ |
| InChIKey | UMLAXSMUHHZXGQ-GCHFJXRNSA-N |
| SMILES | C1(\C=C\C(=C\C=O)C)=C2C(C=CC=C2)=CC=2C1=CC=CC2 |