| SpectraBase Compound ID | BdaDdLbXTKD |
|---|---|
| InChI | InChI=1S/C19H28O4/c20-18(22-14-16-8-3-1-4-9-16)12-7-13-19(21)23-15-17-10-5-2-6-11-17/h1-3,5,16-17H,4,6-15H2 |
| InChIKey | NQMDXDBHWQEXFC-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TR5BIuhYSX |
|---|---|
| Name | Glutaric acid, di((cyclohex-3-enyl)methyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c20-18(22-14-16-8-3-1-4-9-16)12-7-13-19(21)23-15-17-10-5-2-6-11-17/h1-3,5,16-17H,4,6-15H2 |
| InChIKey | NQMDXDBHWQEXFC-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCC(OCC1CCC=CC1)=O)C(OCC1CC=CCC1)=O |