| SpectraBase Compound ID | 5RlNcbYXoop |
|---|---|
| InChI | InChI=1S/C18H18/c1-13-7-5-8-14(2)17(13)11-12-18-15(3)9-6-10-16(18)4/h5-10H,1-4H3 |
| InChIKey | UAHHACIBZVDQAX-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C18H18 |
| Exact Mass | 234.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DXtlwOxUt8 |
|---|---|
| Name | 1,2-bis(2,6-Dimethylphenyl)ethyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.140850580 u |
| Formula | C18H18 |
| InChI | InChI=1S/C18H18/c1-13-7-5-8-14(2)17(13)11-12-18-15(3)9-6-10-16(18)4/h5-10H,1-4H3 |
| InChIKey | UAHHACIBZVDQAX-UHFFFAOYSA-N |
| Molecular Weight | 234.342 g/mol |
| SMILES | C1=CC=C(C)C(=C1C)C#CC1=C(C=CC=C1C)C |