| SpectraBase Compound ID | Eizvmzn84Ol |
|---|---|
| InChI | InChI=1S/C17H18O/c1-3-5-7-11-15-12-9-10-13-16(15)17(18)14-8-6-4-2/h9-10,12-13H,3-6H2,1-2H3 |
| InChIKey | JQXSTNOHENFUJP-UHFFFAOYSA-N |
| Mol Weight | 238.33 g/mol |
| Molecular Formula | C17H18O |
| Exact Mass | 238.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2NcawHFRhv |
|---|---|
| Name | 1-(2-Pent-1-ynylphenyl)-2-hexyn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.135765199 u |
| Formula | C17H18O |
| InChI | InChI=1S/C17H18O/c1-3-5-7-11-15-12-9-10-13-16(15)17(18)14-8-6-4-2/h9-10,12-13H,3-6H2,1-2H3 |
| InChIKey | JQXSTNOHENFUJP-UHFFFAOYSA-N |
| Molecular Weight | 238.330 g/mol |
| SMILES | C(C(C=1C(C#CCCC)=CC=CC1)=O)#CCCC |