| SpectraBase Compound ID | Cz2dWV9miGC |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-13(2)7-6-11-19-15(17)8-5-9-16(18)20-12-10-14(3)4/h10,13H,5-9,11-12H2,1-4H3 |
| InChIKey | LTRIEPBFIZMHKL-UHFFFAOYSA-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 | 4kxgMdIGoBp |
|---|---|
| Name | Glutaric acid, isohexyl 3-methylbut-2-enyl 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/c1-13(2)7-6-11-19-15(17)8-5-9-16(18)20-12-10-14(3)4/h10,13H,5-9,11-12H2,1-4H3 |
| InChIKey | LTRIEPBFIZMHKL-UHFFFAOYSA-N |
| SMILES | CC(=CCOC(CCCC(OCCCC(C)C)=O)=O)C |