| SpectraBase Compound ID | IIK99oqUfA1 |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-5-8-12(4)18-14(16)10-7-9-13(15)17-11(3)6-2/h2,5,11-12H,1,7-10H2,3-4H3 |
| InChIKey | ACKKQLMLNZJDMN-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5T40pY9B4bs |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-5-8-12(4)18-14(16)10-7-9-13(15)17-11(3)6-2/h2,5,11-12H,1,7-10H2,3-4H3 |
| InChIKey | ACKKQLMLNZJDMN-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC(C)CC=C)=O |