| SpectraBase Compound ID | IDzZSHnvgmJ |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-7-8-9-13-20-16(18)11-10-12-17(19)21-15(6-2)14(3)4/h7-8,14-15H,5-6,9-13H2,1-4H3/b8-7+ |
| InChIKey | SKIYWHBHRZYHHT-BQYQJAHWSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sn3tRO4eS6 |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-7-8-9-13-20-16(18)11-10-12-17(19)21-15(6-2)14(3)4/h7-8,14-15H,5-6,9-13H2,1-4H3/b8-7+ |
| InChIKey | SKIYWHBHRZYHHT-BQYQJAHWSA-N |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OCC\C=C\CC)=O |