| SpectraBase Compound ID | 481SI9NYxsM |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-4-7-9(6-3)12-10(11)8-5-2/h9H,5-6,8H2,1-3H3 |
| InChIKey | BKDKCQUMBIYJKJ-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JBsIp0OzQY |
|---|---|
| Name | Butanoic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-4-7-9(6-3)12-10(11)8-5-2/h9H,5-6,8H2,1-3H3 |
| InChIKey | BKDKCQUMBIYJKJ-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | CCCC(OC(CC)C#CC)=O |