| SpectraBase Compound ID | BcYdm3JDvn5 |
|---|---|
| InChI | InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h1H,4-7H2,2H3 |
| InChIKey | REYJZHHJFVWMSE-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqFsEi9ijZV |
|---|---|
| Name | 7-Octyn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h1H,4-7H2,2H3 |
| InChIKey | REYJZHHJFVWMSE-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(#C)CCCCC(=O)C |