| SpectraBase Compound ID | 1ZmTL13GBO6 |
|---|---|
| InChI | InChI=1S/C11H16O/c1-2-3-4-6-10-7-5-8-11(12)9-10/h1,10H,3-9H2 |
| InChIKey | VYWWFVDHSHCSAL-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9tl1CCqA999 |
|---|---|
| Name | 3-Pent-4-ynyl-1-cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-2-3-4-6-10-7-5-8-11(12)9-10/h1,10H,3-9H2 |
| InChIKey | VYWWFVDHSHCSAL-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1(CC(CCC1)CCCC#C)=O |