| SpectraBase Compound ID | KnkYJJ487wJ |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-5-8-12(7-3)18-14(16)10-9-13(15)17-11(4)6-2/h2,11-12H,5,7-10H2,1,3-4H3 |
| InChIKey | MKEUJAFRCRSUKY-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 | ELDX1cx50KG |
|---|---|
| Name | Succinic acid, but-3-yn-2-yl 3-hexyl 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/c1-5-8-12(7-3)18-14(16)10-9-13(15)17-11(4)6-2/h2,11-12H,5,7-10H2,1,3-4H3 |
| InChIKey | MKEUJAFRCRSUKY-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(CC(OC(C#C)C)=O)C(OC(CCC)CC)=O |