| SpectraBase Compound ID | 6aXrLD0TVHI |
|---|---|
| InChI | InChI=1S/C20H16/c1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13/h3-12H,1-2H3 |
| InChIKey | ANWSEVOSZSNNQS-UHFFFAOYSA-N |
| Mol Weight | 256.35 g/mol |
| Molecular Formula | C20H16 |
| Exact Mass | 256.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jlAqu8RJFY |
|---|---|
| Name | 2,7-Dimethyltriphenylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.125200515 u |
| Formula | C20H16 |
| InChI | InChI=1S/C20H16/c1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13/h3-12H,1-2H3 |
| InChIKey | ANWSEVOSZSNNQS-UHFFFAOYSA-N |
| Molecular Weight | 256.348 g/mol |
| SMILES | C1(=CC=2C3=C(C=4C=C(C=CC4C2C=C1)C)C=CC=C3)C |