| SpectraBase Compound ID | FewUKZM0IAb |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-5-7-9-14-20-16(18)12-10-11-15(17)19-13-8-6-4-2/h5,7H,3-4,6,8-14H2,1-2H3/b7-5- |
| InChIKey | PEPWHWIXSXIUSX-ALCCZGGFSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2D5fGijkEcT |
|---|---|
| Name | Glutaric acid, cis-hex-3-enyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-3-5-7-9-14-20-16(18)12-10-11-15(17)19-13-8-6-4-2/h5,7H,3-4,6,8-14H2,1-2H3/b7-5- |
| InChIKey | PEPWHWIXSXIUSX-ALCCZGGFSA-N |
| SMILES | CCCCCOC(CCCC(OCC\C=C/CC)=O)=O |