| SpectraBase Compound ID | EFMG2Jskk57 |
|---|---|
| InChI | InChI=1S/C19H30O4/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/h1,3,16-17H,2,4-15H2 |
| InChIKey | SDPSBKQUWGENEW-UHFFFAOYSA-N |
| Mol Weight | 322.45 g/mol |
| Molecular Formula | C19H30O4 |
| Exact Mass | 322.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoNaYqDa0z |
|---|---|
| Name | Glutaric acid, (cyclohex-3-enyl)methyl cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.214409442 u |
| Formula | C19H30O4 |
| InChI | InChI=1S/C19H30O4/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/h1,3,16-17H,2,4-15H2 |
| InChIKey | SDPSBKQUWGENEW-UHFFFAOYSA-N |
| Molecular Weight | 322.445 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCC1CC=CCC1)=O |