| SpectraBase Compound ID | AFfRsYBQyka |
|---|---|
| InChI | InChI=1S/C7H6O/c1-3-4-5-6-7(2)8/h1-2H3 |
| InChIKey | WAXKZOQSCPDRLB-UHFFFAOYSA-N |
| Mol Weight | 106.12 g/mol |
| Molecular Formula | C7H6O |
| Exact Mass | 106.041865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68MS61QsPzL |
|---|---|
| Name | 3,5-Heptadiyn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 106.041864812 u |
| Formula | C7H6O |
| InChI | InChI=1S/C7H6O/c1-3-4-5-6-7(2)8/h1-2H3 |
| InChIKey | WAXKZOQSCPDRLB-UHFFFAOYSA-N |
| Molecular Weight | 106.124 g/mol |
| SMILES | C(#CC#CC)C(C)=O |