| SpectraBase Compound ID | ClRWxx9Sazk |
|---|---|
| InChI | InChI=1S/C10H12O/c1-4-8-5-9(11)7-10(2,3)6-8/h1,5H,6-7H2,2-3H3 |
| InChIKey | LMXZQICSJVPGDW-UHFFFAOYSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C10H12O |
| Exact Mass | 148.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqabYF6a5kU |
|---|---|
| Name | 3-Ethynyl-5,5-dimethyl-1-cyclohex-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.088815005 u |
| Formula | C10H12O |
| InChI | InChI=1S/C10H12O/c1-4-8-5-9(11)7-10(2,3)6-8/h1,5H,6-7H2,2-3H3 |
| InChIKey | LMXZQICSJVPGDW-UHFFFAOYSA-N |
| Molecular Weight | 148.205 g/mol |
| SMILES | C1(C=C(CC(C1)(C)C)C#C)=O |