| SpectraBase Compound ID | 8yBpW0ovXwp |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-4-9-12(5-2)18-14(16)11-8-7-10-13(15)17-6-3/h12H,5-8,10-11H2,1-3H3 |
| InChIKey | XPAODUOKSMKDCU-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdOQ9EL3JTX |
|---|---|
| Name | Adipic acid, ethyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-4-9-12(5-2)18-14(16)11-8-7-10-13(15)17-6-3/h12H,5-8,10-11H2,1-3H3 |
| InChIKey | XPAODUOKSMKDCU-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(C(=O)OC(CC)C#CC)CCCC(OCC)=O |