| SpectraBase Compound ID | GQHzDFPbQHG |
|---|---|
| InChI | InChI=1S/C21H18/c1-13-8-10-17-15(3)21-18(14(2)20(17)12-13)11-9-16-6-4-5-7-19(16)21/h4-12H,1-3H3 |
| InChIKey | SIMOYBMZOXLETF-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 | KI8XyNOqVCn |
|---|---|
| Name | Benz(A)anthracene, 7,9,12-trimethyl- |
| 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/c1-13-8-10-17-15(3)21-18(14(2)20(17)12-13)11-9-16-6-4-5-7-19(16)21/h4-12H,1-3H3 |
| InChIKey | SIMOYBMZOXLETF-UHFFFAOYSA-N |
| Molecular Weight | 270.375 g/mol |
| SMILES | C1(=CC2=C(C=C1)C(=C1C(=C2C)C=CC2=C1C=CC=C2)C)C |