| SpectraBase Compound ID | 7oXOjWcf0BE |
|---|---|
| InChI | InChI=1S/C16H20O/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)14(2)17/h9-10,12-13H,3-7H2,1-2H3 |
| InChIKey | JMGUSBVXOUQYCB-UHFFFAOYSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C16H20O |
| Exact Mass | 228.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4fe8lGrZvE |
|---|---|
| Name | o-Octynylacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.151415263 u |
| Formula | C16H20O |
| InChI | InChI=1S/C16H20O/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)14(2)17/h9-10,12-13H,3-7H2,1-2H3 |
| InChIKey | JMGUSBVXOUQYCB-UHFFFAOYSA-N |
| Molecular Weight | 228.335 g/mol |
| SMILES | C(#CCCCCCC)C=1C(C(=O)C)=CC=CC1 |