| SpectraBase Compound ID | 4BoIB8Xn5qf |
|---|---|
| InChI | InChI=1S/C7H10O/c1-3-5-6-7(8)4-2/h2H,3,5-6H2,1H3 |
| InChIKey | PHUNISWRLXRMIN-UHFFFAOYSA-N |
| Mol Weight | 110.16 g/mol |
| Molecular Formula | C7H10O |
| Exact Mass | 110.073165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJrvAqAPpav |
|---|---|
| Name | 1-Heptyn-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.073164941 u |
| Formula | C7H10O |
| InChI | InChI=1S/C7H10O/c1-3-5-6-7(8)4-2/h2H,3,5-6H2,1H3 |
| InChIKey | PHUNISWRLXRMIN-UHFFFAOYSA-N |
| Molecular Weight | 110.156 g/mol |
| SMILES | C(#C)C(=O)CCCC |