| SpectraBase Compound ID | 8YfAPn5NcgK |
|---|---|
| InChI | InChI=1S/C18H18/c1-2-3-7-17-11-14-18(15-12-17)13-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,2-3,7H2,1H3 |
| InChIKey | RCSXZTABUTYCBF-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 | GorOIVKhS6Q |
|---|---|
| Name | 1-Butyl-4-(2-phenylethynyl)benzene |
| 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/c1-2-3-7-17-11-14-18(15-12-17)13-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,2-3,7H2,1H3 |
| InChIKey | RCSXZTABUTYCBF-UHFFFAOYSA-N |
| Molecular Weight | 234.342 g/mol |
| SMILES | C=1(C=CC(=CC1)C#CC=1C=CC=CC1)CCCC |