| SpectraBase Compound ID | Kkc14EKB4zM |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-2-3-4-8-14-21-17(19)12-9-13-18(20)22-15-16-10-6-5-7-11-16/h3-4,16H,2,5-15H2,1H3/b4-3+ |
| InChIKey | QTYYKNWRABMOKX-ONEGZZNKSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdTx9aWpZp5 |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-2-3-4-8-14-21-17(19)12-9-13-18(20)22-15-16-10-6-5-7-11-16/h3-4,16H,2,5-15H2,1H3/b4-3+ |
| InChIKey | QTYYKNWRABMOKX-ONEGZZNKSA-N |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCC\C=C\CC)=O |