| SpectraBase Compound ID | EiK49TiQnWm |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-13(2)14(3)21-17(19)11-7-10-16(18)20-12-15-8-5-4-6-9-15/h4-5,13-15H,6-12H2,1-3H3 |
| InChIKey | BADOUWWRKUBXRJ-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JtsBtPjO5ia |
|---|---|
| Name | Glutaric acid, (cyclohex-3-enyl)methyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-13(2)14(3)21-17(19)11-7-10-16(18)20-12-15-8-5-4-6-9-15/h4-5,13-15H,6-12H2,1-3H3 |
| InChIKey | BADOUWWRKUBXRJ-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OCC1CC=CCC1)=O |