![Dibenzo[fg,st]pentacene](/api/spectrum/1RlUQgW0a2k/structure.png?h=300&w=458 "Dibenzo[fg,st]pentacene")
| SpectraBase Compound ID | 6PyYdkFC6Ie |
|---|---|
| InChI | InChI=1S/C28H16/c1-2-8-18-16-26-24-14-6-12-22-20-10-4-3-9-19(20)21-11-5-13-23(27(21)28(22)24)25(26)15-17(18)7-1/h1-16H |
| InChIKey | ADWWQMUSHJWMOS-UHFFFAOYSA-N |
| Mol Weight | 352.44 g/mol |
| Molecular Formula | C28H16 |
| Exact Mass | 352.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1RlUQgW0a2k |
|---|---|
| Name | Dibenzo[fg,st]pentacene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.125200515 u |
| Formula | C28H16 |
| InChI | InChI=1S/C28H16/c1-2-8-18-16-26-24-14-6-12-22-20-10-4-3-9-19(20)21-11-5-13-23(27(21)28(22)24)25(26)15-17(18)7-1/h1-16H |
| InChIKey | ADWWQMUSHJWMOS-UHFFFAOYSA-N |
| Molecular Weight | 352.436 g/mol |
| SMILES | C12=CC=CC3=C2C2=C(C4=C3C=C3C=CC=CC3=C4)C=CC=C2C2=C1C=CC=C2 |