![Pentacyclo[22.4.0.0(3,8).0(10,15).0(17,22)]octacosa-1(24),3(8),4,6,10(15),11,13,17(22),18,20,25,27-dodecaene](/api/spectrum/B0uZ0qmfPXh/structure.png?h=300&w=458 "Pentacyclo[22.4.0.0(3,8).0(10,15).0(17,22)]octacosa-1(24),3(8),4,6,10(15),11,13,17(22),18,20,25,27-dodecaene")
| SpectraBase Compound ID | 5GE7vAUwN6D |
|---|---|
| InChI | InChI=1S/C28H24/c1-2-10-22-18-24-12-5-6-14-26(24)20-28-16-8-7-15-27(28)19-25-13-4-3-11-23(25)17-21(22)9-1/h1-16H,17-20H2 |
| InChIKey | ZGXSCWAWHTYGOT-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C28H24 |
| Exact Mass | 360.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0uZ0qmfPXh |
|---|---|
| Name | Pentacyclo[22.4.0.0(3,8).0(10,15).0(17,22)]octacosa-1(24),3(8),4,6,10(15),11,13,17(22),18,20,25,27-dodecaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.187800773 u |
| Formula | C28H24 |
| InChI | InChI=1S/C28H24/c1-2-10-22-18-24-12-5-6-14-26(24)20-28-16-8-7-15-27(28)19-25-13-4-3-11-23(25)17-21(22)9-1/h1-16H,17-20H2 |
| InChIKey | ZGXSCWAWHTYGOT-UHFFFAOYSA-N |
| Molecular Weight | 360.500 g/mol |
| SMILES | C12=C(CC3=C(CC4=C(CC5=C(C2)C=CC=C5)C=CC=C4)C=CC=C3)C=CC=C1 |