| SpectraBase Compound ID | 8VoAt2k0phQ |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-12(2)14(4)20-16(18)6-5-7-17(19)21-15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3 |
| InChIKey | UPPHUQWUDYAFSC-UHFFFAOYSA-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 | LVEFYdvnECq |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 4-methylcyclohexyl 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/c1-12(2)14(4)20-16(18)6-5-7-17(19)21-15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3 |
| InChIKey | UPPHUQWUDYAFSC-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC1CCC(CC1)C)=O |