| SpectraBase Compound ID | DYnGdFx0jrZ |
|---|---|
| InChI | InChI=1S/C28H26/c1-2-3-4-5-6-7-8-9-10-11-13-22-16-17-25-19-18-23-14-12-15-24-20-21-26(22)28(25)27(23)24/h1,12,14-21H,3-10H2 |
| InChIKey | XTSDEPGFXIHNRR-UHFFFAOYSA-N |
| Mol Weight | 362.52 g/mol |
| Molecular Formula | C28H26 |
| Exact Mass | 362.203451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7K1ZdLczZ7S |
|---|---|
| Name | 1-(1-Pyrenyl)dodeca-1,11-diyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.203450837 u |
| Formula | C28H26 |
| InChI | InChI=1S/C28H26/c1-2-3-4-5-6-7-8-9-10-11-13-22-16-17-25-19-18-23-14-12-15-24-20-21-26(22)28(25)27(23)24/h1,12,14-21H,3-10H2 |
| InChIKey | XTSDEPGFXIHNRR-UHFFFAOYSA-N |
| Molecular Weight | 362.516 g/mol |
| SMILES | C=12C3=C(C#CCCCCCCCCC#C)C=CC2=CC=C2C1C(C=C3)=CC=C2 |