| SpectraBase Compound ID | LByiec7Wqvx |
|---|---|
| InChI | InChI=1S/C14H18/c1-5-6-7-8-14-12(3)9-11(2)10-13(14)4/h9-10H,7-8H2,1-4H3 |
| InChIKey | YBPKUIWGSGGKDJ-UHFFFAOYSA-N |
| Mol Weight | 186.3 g/mol |
| Molecular Formula | C14H18 |
| Exact Mass | 186.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UpR1aQpPqP |
|---|---|
| Name | 5-(2', 4',6'-Trimethylphenyl)-pent-2-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.140850580 u |
| Formula | C14H18 |
| InChI | InChI=1S/C14H18/c1-5-6-7-8-14-12(3)9-11(2)10-13(14)4/h9-10H,7-8H2,1-4H3 |
| InChIKey | YBPKUIWGSGGKDJ-UHFFFAOYSA-N |
| Molecular Weight | 186.298 g/mol |
| SMILES | C1(=CC(=CC(=C1CCC#CC)C)C)C |