| SpectraBase Compound ID | Al27xjEzAOz |
|---|---|
| InChI | InChI=1S/C21H16/c1-15-7-6-9-16(13-15)21-14-17-8-2-3-10-18(17)19-11-4-5-12-20(19)21/h2-14H,1H3 |
| InChIKey | ZEFCILPVFLYQGK-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C21H16 |
| Exact Mass | 268.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wxfmHYXnJG |
|---|---|
| Name | 9-m-Tolylphenanthrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.125200515 u |
| Formula | C21H16 |
| InChI | InChI=1S/C21H16/c1-15-7-6-9-16(13-15)21-14-17-8-2-3-10-18(17)19-11-4-5-12-20(19)21/h2-14H,1H3 |
| InChIKey | ZEFCILPVFLYQGK-UHFFFAOYSA-N |
| SMILES | C1=CC=CC=2C1=CC(=C1C2C=CC=C1)C1=CC(=CC=C1)C |