| SpectraBase Compound ID | 8kigZ03bBzi |
|---|---|
| InChI | InChI=1S/C20H16/c1-13-7-9-17-16(11-13)12-14(2)20-18-6-4-3-5-15(18)8-10-19(17)20/h3-12H,1-2H3 |
| InChIKey | VGNMCZAYLXFYED-UHFFFAOYSA-N |
| Mol Weight | 256.35 g/mol |
| Molecular Formula | C20H16 |
| Exact Mass | 256.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlI7A3V0xhy |
|---|---|
| Name | 5,8-Dimethylchrysene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.125200515 u |
| Formula | C20H16 |
| InChI | InChI=1S/C20H16/c1-13-7-9-17-16(11-13)12-14(2)20-18-6-4-3-5-15(18)8-10-19(17)20/h3-12H,1-2H3 |
| InChIKey | VGNMCZAYLXFYED-UHFFFAOYSA-N |
| Molecular Weight | 256.348 g/mol |
| SMILES | C1=2C(=C(C)C=C3C2C=CC(C)=C3)C=2C=CC=CC2C=C1 |