| SpectraBase Compound ID | 8iCKlfu72G8 |
|---|---|
| InChI | InChI=1S/C21H18/c1-3-16-19-11-7-6-9-17(19)14(2)21-18-10-5-4-8-15(18)12-13-20(16)21/h4-13H,3H2,1-2H3 |
| InChIKey | KGHAOMPXHGIHAL-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 | 503st4tLq5G |
|---|---|
| Name | Benz(A)anthracene, 7-ethyl-12-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/c1-3-16-19-11-7-6-9-17(19)14(2)21-18-10-5-4-8-15(18)12-13-20(16)21/h4-13H,3H2,1-2H3 |
| InChIKey | KGHAOMPXHGIHAL-UHFFFAOYSA-N |
| Molecular Weight | 270.375 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=C1C(=C2CC)C=CC2=C1C=CC=C2)C |