| SpectraBase Compound ID | Jx5WDN9v67 |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-2-16-25-21(23)14-9-15-22(24)26-20(19-12-7-4-8-13-19)17-18-10-5-3-6-11-18/h4-5,7-8,10,12-13,18,20H,2-3,6,9,11,14-17H2,1H3 |
| InChIKey | YDGKRZASURGGEY-UHFFFAOYSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUXjfyUxvX3 |
|---|---|
| Name | Glutaric acid, 1-phenyl-2-(3-cyclohexenyl)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-2-16-25-21(23)14-9-15-22(24)26-20(19-12-7-4-8-13-19)17-18-10-5-3-6-11-18/h4-5,7-8,10,12-13,18,20H,2-3,6,9,11,14-17H2,1H3 |
| InChIKey | YDGKRZASURGGEY-UHFFFAOYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C1CCC(C=C1)CC(OC(=O)CCCC(OCCC)=O)C1=CC=CC=C1 |