| SpectraBase Compound ID | CnEBWZpmOqm |
|---|---|
| InChI | InChI=1S/C17H16/c1-15-11-13-17(14-12-15)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14H,6,10H2,1H3 |
| InChIKey | SDYHMOWMAVLDFK-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C17H16 |
| Exact Mass | 220.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQTllbIGNEm |
|---|---|
| Name | 1-Methyl-4-(4-phenylbut-3-ynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.125200515 u |
| Formula | C17H16 |
| InChI | InChI=1S/C17H16/c1-15-11-13-17(14-12-15)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14H,6,10H2,1H3 |
| InChIKey | SDYHMOWMAVLDFK-UHFFFAOYSA-N |
| Molecular Weight | 220.315 g/mol |
| SMILES | C(#CCCC1=CC=C(C=C1)C)C=1C=CC=CC1 |