| SpectraBase Compound ID | 7bOF26UmU4j |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-5-12(4)18-14(16)8-6-7-13(15)17-10-9-11(2)3/h1,9,12H,6-8,10H2,2-4H3 |
| InChIKey | FNRIPHJBAOFELT-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 | GWFkp8GCECn |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl but-3-yn-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/c1-5-12(4)18-14(16)8-6-7-13(15)17-10-9-11(2)3/h1,9,12H,6-8,10H2,2-4H3 |
| InChIKey | FNRIPHJBAOFELT-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC(C)C#C)=O |