| SpectraBase Compound ID | 7uYzAHaaBtn |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-3-5-7-9-12-10(11)8-6-4-2/h1,5,7H,4,6,8-9H2,2H3/b7-5+ |
| InChIKey | KMSAKRDDKNAIBK-FNORWQNLSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kLxcS1Idrg |
|---|---|
| Name | Valeric acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-3-5-7-9-12-10(11)8-6-4-2/h1,5,7H,4,6,8-9H2,2H3/b7-5+ |
| InChIKey | KMSAKRDDKNAIBK-FNORWQNLSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C(=O)(OC\C=C\C#C)CCCC |