| SpectraBase Compound ID | 7359u4RGc6x |
|---|---|
| InChI | InChI=1S/C26H14O2/c27-21-13-14-22(28)26-20-12-10-16-6-2-4-8-18(16)24(20)23-17-7-3-1-5-15(17)9-11-19(23)25(21)26/h1-14H |
| InChIKey | GMXSBPDAOGZALZ-UHFFFAOYSA-N |
| Mol Weight | 358.4 g/mol |
| Molecular Formula | C26H14O2 |
| Exact Mass | 358.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fa9YhToI6ax |
|---|---|
| Name | Pentahelicenebenzoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.099379689 u |
| Formula | C26H14O2 |
| InChI | InChI=1S/C26H14O2/c27-21-13-14-22(28)26-20-12-10-16-6-2-4-8-18(16)24(20)23-17-7-3-1-5-15(17)9-11-19(23)25(21)26/h1-14H |
| InChIKey | GMXSBPDAOGZALZ-UHFFFAOYSA-N |
| Molecular Weight | 358.396 g/mol |
| SMILES | C1=2C(=C3C=CC=4C(C3=C3C2C=CC2=CC=CC=C32)=CC=CC4)C(=O)C=CC1=O |