| SpectraBase Compound ID | CPrnjLGJEt1 |
|---|---|
| InChI | InChI=1S/C21H18/c1-3-16-20-11-7-6-9-17(20)14(2)18-13-12-15-8-4-5-10-19(15)21(16)18/h4-13H,3H2,1-2H3 |
| InChIKey | FTMBVQWARWOALX-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 | 55NuPQh1XGI |
|---|---|
| Name | Benz(A)anthracene, 12-ethyl-7-methyl- |
| 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/c1-3-16-20-11-7-6-9-17(20)14(2)18-13-12-15-8-4-5-10-19(15)21(16)18/h4-13H,3H2,1-2H3 |
| InChIKey | FTMBVQWARWOALX-UHFFFAOYSA-N |
| Molecular Weight | 270.375 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=C1C(=C2C)C=CC2=C1C=CC=C2)CC |