![4-Phenyl-ethynyl[2.2]paracyclophane](/api/spectrum/91cZjxn7Cdl/structure.png?h=300&w=458 "4-Phenyl-ethynyl[2.2]paracyclophane")
| SpectraBase Compound ID | XrlqbCwA75 |
|---|---|
| InChI | InChI=1S/C24H20/c1-2-4-19(5-3-1)13-17-24-18-22-11-10-20-6-8-21(9-7-20)12-15-23(24)16-14-22/h1-9,14,16,18H,10-12,15H2 |
| InChIKey | BZALTOHBRXRKLT-UHFFFAOYSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C24H20 |
| Exact Mass | 308.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91cZjxn7Cdl |
|---|---|
| Name | 4-Phenyl-ethynyl[2.2]paracyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.156500644 u |
| Formula | C24H20 |
| InChI | InChI=1S/C24H20/c1-2-4-19(5-3-1)13-17-24-18-22-11-10-20-6-8-21(9-7-20)12-15-23(24)16-14-22/h1-9,14,16,18H,10-12,15H2 |
| InChIKey | BZALTOHBRXRKLT-UHFFFAOYSA-N |
| Molecular Weight | 308.424 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C=1C=2CCC3=CC=C(CCC(C1)=CC2)C=C3 |