| SpectraBase Compound ID | 8fWOHpARcGf |
|---|---|
| InChI | InChI=1S/C22H20/c1-3-16-19-11-7-8-12-20(19)17(4-2)22-18-10-6-5-9-15(18)13-14-21(16)22/h5-14H,3-4H2,1-2H3 |
| InChIKey | CIFPUMMYFBMFKK-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C22H20 |
| Exact Mass | 284.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9S6wDo74df2 |
|---|---|
| Name | Benz(A)anthracene, 7,12-diethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.156500644 u |
| Formula | C22H20 |
| InChI | InChI=1S/C22H20/c1-3-16-19-11-7-8-12-20(19)17(4-2)22-18-10-6-5-9-15(18)13-14-21(16)22/h5-14H,3-4H2,1-2H3 |
| InChIKey | CIFPUMMYFBMFKK-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1C(=C1C=CC3=C(C1=C2CC)C=CC=C3)CC |