| SpectraBase Compound ID | 6Le1fa9ga4N |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-4-6-7-9(10)11-8(3)5-2/h2,8H,4,6-7H2,1,3H3 |
| InChIKey | OGADSAZXUBMXDM-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMKGtjbQ6ZA |
|---|---|
| Name | Valeric acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-4-6-7-9(10)11-8(3)5-2/h2,8H,4,6-7H2,1,3H3 |
| InChIKey | OGADSAZXUBMXDM-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(=O)(OC(C)C#C)CCCC |