| SpectraBase Compound ID | Ll8ib2vipRm |
|---|---|
| InChI | InChI=1S/C21H18/c1-13-10-14(2)17-8-9-19-18-7-5-4-6-16(18)15(3)12-21(19)20(17)11-13/h4-12H,1-3H3 |
| InChIKey | UGLPREDFUVNEMJ-UHFFFAOYSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C21H18 |
| Exact Mass | 270.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRr0gJta4LQ |
|---|---|
| Name | 1,3,6-Trimethylchrysene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.140850580 u |
| Formula | C21H18 |
| InChI | InChI=1S/C21H18/c1-13-10-14(2)17-8-9-19-18-7-5-4-6-16(18)15(3)12-21(19)20(17)11-13/h4-12H,1-3H3 |
| InChIKey | UGLPREDFUVNEMJ-UHFFFAOYSA-N |
| Molecular Weight | 270.375 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=CC1=C2C=CC2=C1C=C(C=C2C)C)C |