| SpectraBase Compound ID | iC2lN4vb3R |
|---|---|
| InChI | InChI=1S/C21H18O2/c1-15(13-21(22)23-2)11-12-20-18-9-5-3-7-16(18)14-17-8-4-6-10-19(17)20/h3-14H,1-2H3/b12-11+,15-13+ |
| InChIKey | ZRNACTPEWBLARG-NOVYJZLUSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C21H18O2 |
| Exact Mass | 302.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5d3fRWsuqKJ |
|---|---|
| Name | 2,4-Pentadienoic acid, 5-(9-anthracenyl)-3-methyl-, methyl ester, (E,E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.130679818 u |
| Formula | C21H18O2 |
| InChI | InChI=1S/C21H18O2/c1-15(13-21(22)23-2)11-12-20-18-9-5-3-7-16(18)14-17-8-4-6-10-19(17)20/h3-14H,1-2H3/b12-11+,15-13+ |
| InChIKey | ZRNACTPEWBLARG-NOVYJZLUSA-N |
| SMILES | C1(\C=C\C(=C\C(=O)OC)C)=C2C(C=CC=C2)=CC=2C1=CC=CC2 |