![Tribenzo[b,def,p]chrysene](/api/spectrum/FAttnGBU8lG/structure.png?h=300&w=458 "Tribenzo[b,def,p]chrysene")
| SpectraBase Compound ID | A59gyqDddar |
|---|---|
| InChI | InChI=1S/C28H16/c1-3-9-20-18(8-1)16-25-22-11-5-6-12-23(22)27-21-10-4-2-7-17(21)15-19-13-14-24(20)28(25)26(19)27/h1-16H |
| InChIKey | GPGRJEGWCIKYDY-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 | FAttnGBU8lG |
|---|---|
| Name | Tribenzo[B,def,p]chrysene |
| 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/c1-3-9-20-18(8-1)16-25-22-11-5-6-12-23(22)27-21-10-4-2-7-17(21)15-19-13-14-24(20)28(25)26(19)27/h1-16H |
| InChIKey | GPGRJEGWCIKYDY-UHFFFAOYSA-N |
| Molecular Weight | 352.436 g/mol |
| SMILES | C1=CC2=C(C=C1)C1=C3C=CC=CC3=C3C4=C1C(=C2)C=CC4=C1C(=C3)C=CC=C1 |