| SpectraBase Compound ID | CdP5Z404hJf |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h6,12-13H,2,7-8,10-11H2,1,3-4H3 |
| InChIKey | CEBIILHLXWTOOK-UHFFFAOYSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrMRIkWi4OP |
|---|---|
| Name | Glutaric acid, but-3-en-2-yl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.151809184 u |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h6,12-13H,2,7-8,10-11H2,1,3-4H3 |
| InChIKey | CEBIILHLXWTOOK-UHFFFAOYSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC(C)C=C)=O |