![Tribenzo[a,e,i]cyclododecene](/api/spectrum/HaQAN9xLgQ5/structure.png?h=300&w=458 "Tribenzo[a,e,i]cyclododecene")
| SpectraBase Compound ID | 1DsTxvyZhEn |
|---|---|
| InChI | InChI=1S/C24H18/c1-2-8-20-15-16-22-10-5-6-12-24(22)18-17-23-11-4-3-9-21(23)14-13-19(20)7-1/h1-18H/b14-13+,16-15+,18-17+,19-13-,20-15+,21-14+,22-16-,23-17-,24-18+ |
| InChIKey | QSYLTWVFVYAICO-BMAIBDLQSA-N |
| Mol Weight | 306.41 g/mol |
| Molecular Formula | C24H18 |
| Exact Mass | 306.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaQAN9xLgQ5 |
|---|---|
| Name | Tribenzo[A,E,I]cyclododecene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.140850580 u |
| Formula | C24H18 |
| InChI | InChI=1S/C24H18/c1-2-8-20-15-16-22-10-5-6-12-24(22)18-17-23-11-4-3-9-21(23)14-13-19(20)7-1/h1-18H/b14-13+,16-15+,18-17+,19-13-,20-15+,21-14+,22-16-,23-17-,24-18+ |
| InChIKey | QSYLTWVFVYAICO-BMAIBDLQSA-N |
| SMILES | C1=CC=2\C=C\C=3C=CC=CC3\C=C\C=3C(\C=C\C2C=C1)=CC=CC3 |