| SpectraBase Compound ID | IXW4vQC9adf |
|---|---|
| InChI | InChI=1S/C20H22/c1-2-3-4-5-9-16-11-8-13-20-18-12-7-6-10-17(18)14-15-19(16)20/h6-8,10-15H,2-5,9H2,1H3 |
| InChIKey | OZFNICOETQOFEY-UHFFFAOYSA-N |
| Mol Weight | 262.4 g/mol |
| Molecular Formula | C20H22 |
| Exact Mass | 262.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuOZ7F5m7Sk |
|---|---|
| Name | Phenanthrene, 1-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.172150708 u |
| Formula | C20H22 |
| InChI | InChI=1S/C20H22/c1-2-3-4-5-9-16-11-8-13-20-18-12-7-6-10-17(18)14-15-19(16)20/h6-8,10-15H,2-5,9H2,1H3 |
| InChIKey | OZFNICOETQOFEY-UHFFFAOYSA-N |
| Molecular Weight | 262.396 g/mol |
| SMILES | C12=CC=CC(=C2C=CC2=C1C=CC=C2)CCCCCC |