| SpectraBase Compound ID | 88c5qI484Q9 |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-4-6-7-8-12-18-14(16)10-9-11-15(17)19-13(3)5-2/h2,7-8,13H,4,6,9-12H2,1,3H3/b8-7+ |
| InChIKey | PTIJHXAOGWVMAU-BQYQJAHWSA-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 | E2HTGI7SWGN |
|---|---|
| Name | Glutaric acid, hex-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 | 266.151809184 u |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-4-6-7-8-12-18-14(16)10-9-11-15(17)19-13(3)5-2/h2,7-8,13H,4,6,9-12H2,1,3H3/b8-7+ |
| InChIKey | PTIJHXAOGWVMAU-BQYQJAHWSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC\C=C\CCC)=O |