| SpectraBase Compound ID | 2hMxHJVCxoz |
|---|---|
| InChI | InChI=1S/C19H30O4/c1-4-6-7-8-9-10-11-12-16-22-18(20)14-13-15-19(21)23-17(3)5-2/h2,4,17H,1,6-16H2,3H3 |
| InChIKey | PJKCNMKEWDDVQK-UHFFFAOYSA-N |
| Mol Weight | 322.45 g/mol |
| Molecular Formula | C19H30O4 |
| Exact Mass | 322.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OTpkQM6AL3 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl dec-9-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.214409442 u |
| Formula | C19H30O4 |
| InChI | InChI=1S/C19H30O4/c1-4-6-7-8-9-10-11-12-16-22-18(20)14-13-15-19(21)23-17(3)5-2/h2,4,17H,1,6-16H2,3H3 |
| InChIKey | PJKCNMKEWDDVQK-UHFFFAOYSA-N |
| Molecular Weight | 322.445 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCCCCCCCCC=C)=O |