| SpectraBase Compound ID | ozCQA03N3p |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-2-3-7-13-20-16(18)11-8-12-17(19)21-14-15-9-5-4-6-10-15/h3,7,15H,2,4-6,8-14H2,1H3/b7-3+ |
| InChIKey | GPABDNZRDCKSTQ-XVNBXDOJSA-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 | 67p4tedwj2l |
|---|---|
| Name | Glutaric acid, pent-2-en-1-yl cyclohexylmethyl 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/c1-2-3-7-13-20-16(18)11-8-12-17(19)21-14-15-9-5-4-6-10-15/h3,7,15H,2,4-6,8-14H2,1H3/b7-3+ |
| InChIKey | GPABDNZRDCKSTQ-XVNBXDOJSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC\C=C\CC)=O |